444031 -OEChem-10191521232D 62 66 0 1 0 0 0 0 0999 V2000 3.9655 1.6882 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8371 -1.7497 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5608 0.0551 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.2858 2.1950 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.9781 0.3915 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.9836 0.2870 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4781 1.2575 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6472 -0.3517 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4562 1.0496 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4268 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9890 0.1824 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0881 -0.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 1.2815 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2928 0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4013 0.9914 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0016 -1.1143 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5823 -0.7311 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2791 -1.2954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1588 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4067 0.8869 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1062 -2.1088 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5878 -0.8356 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3836 -2.2899 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 0.0551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1588 -1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2972 -2.6966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0266 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8909 -0.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8909 -1.4449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8371 -0.1402 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 -1.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4207 -0.9449 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5151 1.1044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6697 1.8472 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9117 1.5097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1456 -0.7161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9572 -0.8886 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0762 1.0496 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5210 1.6662 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0283 -0.9199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8253 -0.9199 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6913 0.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8943 0.5300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6534 1.5578 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5032 -0.7499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9467 -1.2327 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7127 -1.0432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9214 2.6966 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9024 2.2598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 1.3885 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6726 -2.3610 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3356 -1.4020 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8820 -2.6543 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 0.6751 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6219 -1.7549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3620 -3.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3834 -0.0914 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3745 0.1690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5861 0.4267 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0249 -2.5649 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8816 -1.3596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8816 -0.5302 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 29 1 0 0 0 0 2 32 1 0 0 0 0 3 8 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 13 1 0 0 0 0 4 48 1 0 0 0 0 4 49 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 33 1 1 0 0 0 6 11 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 7 9 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 36 1 0 0 0 0 8 37 1 0 0 0 0 9 38 1 0 0 0 0 9 39 1 0 0 0 0 10 14 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 15 2 0 0 0 0 11 17 1 0 0 0 0 12 16 2 0 0 0 0 12 18 1 0 0 0 0 14 19 1 0 0 0 0 14 42 1 0 0 0 0 14 43 1 0 0 0 0 15 20 1 0 0 0 0 15 44 1 0 0 0 0 16 21 1 0 0 0 0 16 45 1 0 0 0 0 17 22 2 0 0 0 0 17 46 1 0 0 0 0 18 23 2 0 0 0 0 18 47 1 0 0 0 0 19 24 2 0 0 0 0 19 25 1 0 0 0 0 20 27 2 0 0 0 0 20 50 1 0 0 0 0 21 26 2 0 0 0 0 21 51 1 0 0 0 0 22 27 1 0 0 0 0 22 52 1 0 0 0 0 23 26 1 0 0 0 0 23 53 1 0 0 0 0 24 28 1 0 0 0 0 24 54 1 0 0 0 0 25 31 2 0 0 0 0 25 55 1 0 0 0 0 26 56 1 0 0 0 0 27 57 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 29 31 1 0 0 0 0 30 32 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 31 60 1 0 0 0 0 32 61 1 0 0 0 0 32 62 1 0 0 0 0 M END > 444031 > 1 > 607 > 3 > 1 > 7 > AAADceB7MAAAAAAAAAAAAAAAAAAAAWJAAAAwYMAAAAAAAEgBUAAAHgAQAAAADwThmAYwBoNABACIAiFSEAACCAAgIAAIiAEOCIgMJjKEtRuGOCCkwBGIqAecyfCPoAACAAAIAABAAAQAABAAAAAAAAAAAA== > 2-[(3S)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenyl-acetamide > 2-[(3S)-1-[2-(2,3-dihydrobenzofuran-5-yl)ethyl]-3-pyrrolidinyl]-2,2-diphenylacetamide > 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenylacetamide > 2-[(3S)-1-[2-(2,3-dihydro-1-benzofuran-5-yl)ethyl]pyrrolidin-3-yl]-2,2-diphenyl-ethanamide > 2-[(3S)-1-(2-coumaran-5-ylethyl)pyrrolidin-3-yl]-2,2-diphenyl-acetamide > InChI=1S/C28H30N2O2/c29-27(31)28(23-7-3-1-4-8-23,24-9-5-2-6-10-24)25-14-17-30(20-25)16-13-21-11-12-26-22(19-21)15-18-32-26/h1-12,19,25H,13-18,20H2,(H2,29,31)/t25-/m1/s1 > HXGBXQDTNZMWGS-RUZDIDTESA-N > 4.6 > 426.230728 > C28H30N2O2 > 426.55 > C1CN(CC1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5 > C1CN(C[C@@H]1C(C2=CC=CC=C2)(C3=CC=CC=C3)C(=O)N)CCC4=CC5=C(C=C4)OCC5 > 55.6 > 426.230728 > 0 > 32 > 1 > 0 > 0 > 0 > 0 > 1 > 8 > 1 5 255 > 11 15 8 11 17 8 12 16 8 12 18 8 15 20 8 16 21 8 17 22 8 18 23 8 19 24 8 19 25 8 20 27 8 21 26 8 22 27 8 23 26 8 24 28 8 25 31 8 28 29 8 29 31 8 5 33 5 $$$$