40430701 -OEChem-04262408592D 66 70 0 1 0 0 0 0 0999 V2000 4.9355 2.0201 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 0.2154 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -0.7461 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2119 -2.7846 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3142 -1.4904 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2477 -1.6506 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7478 -0.7846 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2477 -1.6506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7478 -2.5167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7477 -2.5166 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2478 -3.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2477 -3.3827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7478 0.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8817 0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 0.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8817 1.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 1.7154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7478 2.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9355 0.4106 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 -0.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3519 1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5238 2.2222 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7317 3.2569 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -1.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 -2.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 -0.5399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -2.2846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3519 1.2154 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5318 3.2638 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6297 3.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 -0.0018 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2119 -3.7846 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.2080 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1489 -0.6242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3554 -1.0400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6651 -1.4385 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2228 -2.9152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2227 -2.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2728 -2.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2728 -2.9152 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1401 -3.9933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8304 -3.5948 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6651 -3.5947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3554 -3.9933 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 -0.1646 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0768 -2.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0571 1.9060 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1912 3.5606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8828 -0.9746 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 -3.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0168 0.5254 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3519 1.8354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7319 1.2154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3519 0.5954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0700 3.5717 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6274 4.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5049 0.3258 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7472 0.5735 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5919 -3.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2119 -4.4046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8319 -3.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 0.3987 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 -0.3359 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 -0.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 1 23 1 0 0 0 0 2 16 1 0 0 0 0 2 53 1 0 0 0 0 3 28 1 0 0 0 0 3 33 1 0 0 0 0 4 29 1 0 0 0 0 4 34 1 0 0 0 0 5 28 2 0 0 0 0 7 6 1 6 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 7 36 1 0 0 0 0 8 10 1 0 0 0 0 8 37 1 0 0 0 0 8 38 1 0 0 0 0 9 11 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 12 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 12 1 0 0 0 0 11 43 1 0 0 0 0 11 44 1 0 0 0 0 12 45 1 0 0 0 0 12 46 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 21 2 0 0 0 0 14 22 1 0 0 0 0 15 17 2 0 0 0 0 15 20 1 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 18 19 1 0 0 0 0 18 24 2 0 0 0 0 19 25 2 0 0 0 0 20 23 2 0 0 0 0 20 28 1 0 0 0 0 21 26 1 0 0 0 0 21 47 1 0 0 0 0 22 27 2 0 0 0 0 22 48 1 0 0 0 0 23 30 1 0 0 0 0 24 31 1 0 0 0 0 24 49 1 0 0 0 0 25 32 1 0 0 0 0 25 50 1 0 0 0 0 26 29 2 0 0 0 0 26 51 1 0 0 0 0 27 29 1 0 0 0 0 27 52 1 0 0 0 0 30 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 31 32 2 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 33 35 1 0 0 0 0 33 59 1 0 0 0 0 33 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 34 63 1 0 0 0 0 35 64 1 0 0 0 0 35 65 1 0 0 0 0 35 66 1 0 0 0 0 M END > 40430701 > 1 > 703 > 6 > 1 > 7 > AAADceB6OAAAAAAAAAAAAAAAAAAAASAAAAA8YMEAAAAAAEjB9AAAHgAACAAADCzhmAYyDsMABkCIAqDSCACCCAAkIAAIiAEODMgMJzaOtRuGeWjn4BGIuYf//f/e4QADAAAYAADCAAYAADAAAAAAAAAAAA== > ethyl 5-hydroxy-4-[(S)-(4-methoxyphenyl)-(1-piperidyl)methyl]-2-methyl-benzo[g]benzofuran-3-carboxylate > 5-hydroxy-4-[(S)-(4-methoxyphenyl)-(1-piperidinyl)methyl]-2-methyl-3-benzo[g]benzofurancarboxylic acid ethyl ester > ethyl 5-hydroxy-4-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-2-methylbenzo[g][1]benzofuran-3-carboxylate > ethyl 5-hydroxy-4-[(S)-(4-methoxyphenyl)-piperidin-1-ylmethyl]-2-methylbenzo[g][1]benzofuran-3-carboxylate > ethyl 4-[(S)-(4-methoxyphenyl)-piperidin-1-yl-methyl]-2-methyl-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate > 5-hydroxy-4-[(S)-(4-methoxyphenyl)-piperidino-methyl]-2-methyl-benzo[g]benzofuran-3-carboxylic acid ethyl ester > InChI=1S/C29H31NO5/c1-4-34-29(32)23-18(2)35-28-22-11-7-6-10-21(22)27(31)25(24(23)28)26(30-16-8-5-9-17-30)19-12-14-20(33-3)15-13-19/h6-7,10-15,26,31H,4-5,8-9,16-17H2,1-3H3/t26-/m0/s1 > LLPZSOPTOVLDIY-SANMLTNESA-N > 6.2 > 473.22022309 > C29H31NO5 > 473.6 > CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CC=C(C=C4)OC)N5CCCCC5)C > CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)[C@H](C4=CC=C(C=C4)OC)N5CCCCC5)C > 72.1 > 473.22022309 > 0 > 35 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 17 8 1 23 8 13 15 8 13 16 8 14 21 8 14 22 8 15 17 8 15 20 8 16 18 8 17 19 8 18 19 8 18 24 8 19 25 8 20 23 8 21 26 8 22 27 8 24 31 8 25 32 8 26 29 8 27 29 8 31 32 8 7 6 6 $$$$