40430693 -OEChem-03282414182D 65 69 0 1 0 0 0 0 0999 V2000 4.9355 1.8191 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 0.0144 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -0.9471 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3142 -1.6914 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2477 -1.8516 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7478 -0.9856 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2477 -1.8515 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7478 -2.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7477 -2.7176 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2478 -3.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2477 -3.5836 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7478 0.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8817 0.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 0.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8817 1.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 1.5144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7478 2.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9355 0.2097 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 -0.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -2.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3519 1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5238 2.0213 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7317 3.0559 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -1.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 -2.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -2.4856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 -0.7408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3519 1.0144 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5318 3.0628 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6297 3.5837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2119 -2.9856 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 -0.2028 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1489 -0.8251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3554 -1.2410 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6651 -1.6395 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2228 -3.1162 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2227 -2.3191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2728 -2.3191 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2728 -3.1161 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1401 -4.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8304 -3.7957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6651 -3.7957 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3554 -4.1942 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 -0.3656 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0768 -2.7956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0571 1.7051 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1912 3.3597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8828 -1.1756 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 -3.6056 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0168 0.3244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3519 1.6344 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7319 1.0144 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3519 0.3944 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0700 3.3708 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6274 4.2037 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9019 -3.5225 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7488 -3.2956 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5219 -2.4487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5049 0.1249 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7472 0.3725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 0.1977 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 -0.5368 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 -1.0156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 15 1 0 0 0 0 2 52 1 0 0 0 0 3 28 1 0 0 0 0 3 33 1 0 0 0 0 4 28 2 0 0 0 0 6 5 1 6 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 35 1 0 0 0 0 7 9 1 0 0 0 0 7 36 1 0 0 0 0 7 37 1 0 0 0 0 8 10 1 0 0 0 0 8 38 1 0 0 0 0 8 39 1 0 0 0 0 9 11 1 0 0 0 0 9 40 1 0 0 0 0 9 41 1 0 0 0 0 10 11 1 0 0 0 0 10 42 1 0 0 0 0 10 43 1 0 0 0 0 11 44 1 0 0 0 0 11 45 1 0 0 0 0 12 14 1 0 0 0 0 12 15 2 0 0 0 0 13 20 2 0 0 0 0 13 21 1 0 0 0 0 14 16 2 0 0 0 0 14 19 1 0 0 0 0 15 17 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 17 23 2 0 0 0 0 18 24 2 0 0 0 0 19 22 2 0 0 0 0 19 28 1 0 0 0 0 20 25 1 0 0 0 0 20 46 1 0 0 0 0 21 26 2 0 0 0 0 21 47 1 0 0 0 0 22 29 1 0 0 0 0 23 30 1 0 0 0 0 23 48 1 0 0 0 0 24 31 1 0 0 0 0 24 49 1 0 0 0 0 25 27 2 0 0 0 0 25 50 1 0 0 0 0 26 27 1 0 0 0 0 26 51 1 0 0 0 0 27 32 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 29 55 1 0 0 0 0 30 31 2 0 0 0 0 30 56 1 0 0 0 0 31 57 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 32 60 1 0 0 0 0 33 34 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 34 63 1 0 0 0 0 34 64 1 0 0 0 0 34 65 1 0 0 0 0 M END > 40430693 > 1 > 686 > 5 > 1 > 6 > AAADceB6OAAAAAAAAAAAAAAAAAAAASAAAAA8YMEAAAAAAEjB9AAAHgAACAAADCzhmAYyDsMABkCIAqDSCACCCAAkIAAIiAEMDMgMJzaOtRuGeWjn4BGIuYf//f/ewQADAAAYAACCAAYAADAAAAAAAAAAAA== > ethyl 5-hydroxy-2-methyl-4-[(S)-1-piperidyl(p-tolyl)methyl]benzo[g]benzofuran-3-carboxylate > 5-hydroxy-2-methyl-4-[(S)-(4-methylphenyl)-(1-piperidinyl)methyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester > ethyl 5-hydroxy-2-methyl-4-[(S)-(4-methylphenyl)-piperidin-1-ylmethyl]benzo[g][1]benzofuran-3-carboxylate > ethyl 5-hydroxy-2-methyl-4-[(S)-(4-methylphenyl)-piperidin-1-ylmethyl]benzo[g][1]benzofuran-3-carboxylate > ethyl 2-methyl-4-[(S)-(4-methylphenyl)-piperidin-1-yl-methyl]-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate > 5-hydroxy-2-methyl-4-[(S)-piperidino(p-tolyl)methyl]benzo[g]benzofuran-3-carboxylic acid ethyl ester > InChI=1S/C29H31NO4/c1-4-33-29(32)23-19(3)34-28-22-11-7-6-10-21(22)27(31)25(24(23)28)26(30-16-8-5-9-17-30)20-14-12-18(2)13-15-20/h6-7,10-15,26,31H,4-5,8-9,16-17H2,1-3H3/t26-/m0/s1 > APLRAQIVVGEOEZ-SANMLTNESA-N > 6.6 > 457.22530847 > C29H31NO4 > 457.6 > CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CC=C(C=C4)C)N5CCCCC5)C > CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)[C@H](C4=CC=C(C=C4)C)N5CCCCC5)C > 62.9 > 457.22530847 > 0 > 34 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 16 8 1 22 8 12 14 8 12 15 8 13 20 8 13 21 8 14 16 8 14 19 8 15 17 8 16 18 8 17 18 8 17 23 8 18 24 8 19 22 8 20 25 8 21 26 8 23 30 8 24 31 8 25 27 8 26 27 8 30 31 8 6 5 6 $$$$