22692237
  -OEChem-10101305022D

 41 42  0     0  0  0  0  0  0999 V2000
    3.7320   -2.3100    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    1.6900    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    1.6900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.1900    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    3.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    3.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641    4.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    2.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    0.6900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.1900    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -3.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -4.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -5.3100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -5.8100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6762    3.1074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0747    3.7977    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3860    3.7726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9875    3.0823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2520    5.2726    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8535    4.5823    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1951    2.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -2.2274    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -2.9177    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350    0.5000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1350   -1.1200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3301    5.8100    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8671    4.8800    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -4.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4631   -5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -5.6200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.4300    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 11  1  0  0  0  0
  2  8  2  0  0  0  0
  3  8  1  0  0  0  0
  3  9  1  0  0  0  0
  3 28  1  0  0  0  0
  4  7  1  0  0  0  0
  4 35  1  0  0  0  0
  4 36  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 22  1  0  0  0  0
  5 23  1  0  0  0  0
  6  8  1  0  0  0  0
  6 24  1  0  0  0  0
  6 25  1  0  0  0  0
  7 26  1  0  0  0  0
  7 27  1  0  0  0  0
  9 12  2  0  0  0  0
  9 13  1  0  0  0  0
 10 15  2  0  0  0  0
 10 16  1  0  0  0  0
 11 14  1  0  0  0  0
 11 29  1  0  0  0  0
 11 30  1  0  0  0  0
 12 15  1  0  0  0  0
 12 31  1  0  0  0  0
 13 16  2  0  0  0  0
 13 32  1  0  0  0  0
 14 17  2  0  0  0  0
 14 18  1  0  0  0  0
 15 33  1  0  0  0  0
 16 34  1  0  0  0  0
 17 19  1  0  0  0  0
 17 37  1  0  0  0  0
 18 20  2  0  0  0  0
 18 38  1  0  0  0  0
 19 21  2  0  0  0  0
 19 39  1  0  0  0  0
 20 21  1  0  0  0  0
 20 40  1  0  0  0  0
 21 41  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
22692237

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
295

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
3

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
7

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MAAAAAAAAAAAAAAAAAAAAAAAAAAwYAAAAAAAAAABQAAAHgAQAAAADAzhmAYwxoLABACIAiVSUACCCAAhIgAIiIEGbIgMJjLEsZuGOCjk1BHI6Ae0wCAOAEAAAAAAAAAAgAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
4-amino-N-(4-benzyloxyphenyl)butanamide

> <PUBCHEM_IUPAC_CAS_NAME>
4-amino-N-(4-phenylmethoxyphenyl)butanamide

> <PUBCHEM_IUPAC_NAME>
4-amino-N-(4-phenylmethoxyphenyl)butanamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
4-azanyl-N-(4-phenylmethoxyphenyl)butanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-amino-N-(4-benzoxyphenyl)butyramide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C17H20N2O2/c18-12-4-7-17(20)19-15-8-10-16(11-9-15)21-13-14-5-2-1-3-6-14/h1-3,5-6,8-11H,4,7,12-13,18H2,(H,19,20)

> <PUBCHEM_IUPAC_INCHIKEY>
QTWBKNVNGVYTNZ-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
284.152478

> <PUBCHEM_MOLECULAR_FORMULA>
C17H20N2O2

> <PUBCHEM_MOLECULAR_WEIGHT>
284.3529

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CCCN

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1=CC=C(C=C1)COC2=CC=C(C=C2)NC(=O)CCCN

> <PUBCHEM_CACTVS_TPSA>
64.4

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
284.152478

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
21

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
3

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
10  15  8
10  16  8
12  15  8
13  16  8
14  17  8
14  18  8
17  19  8
18  20  8
19  21  8
20  21  8
9  12  8
9  13  8

$$$$