40430697 -OEChem-05052419332D 62 66 0 1 0 0 0 0 0999 V2000 4.9355 1.7444 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 -0.0603 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 -1.0218 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3142 -1.7660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2477 -1.9263 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7478 -1.0603 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.2532 -2.0308 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6545 -2.8399 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0453 -3.0089 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9114 -3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7478 -0.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -1.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8817 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 0.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8817 1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 1.4397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7478 1.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9355 0.1350 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 -1.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6138 -2.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3519 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5238 1.9466 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7317 2.9812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -1.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 -3.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3458 -2.5603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6249 -0.8155 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3519 0.9397 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5318 2.9882 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6297 3.5090 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2119 -3.0603 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9785 -0.2775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.4837 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1489 -0.8998 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2532 -1.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6366 -1.9659 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0190 -3.3414 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1915 -2.5298 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4556 -2.8173 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7931 -3.5753 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5469 -4.0106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3721 -3.9238 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 -0.4403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0768 -2.8703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0571 1.6304 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1912 3.2850 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8828 -1.2503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4798 -3.6803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0168 0.2497 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3519 1.5597 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7319 0.9397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3519 0.3197 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0700 3.2961 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6274 4.1290 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9019 -3.5972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7488 -3.3703 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5219 -2.5234 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5049 0.0502 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7472 0.2978 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8721 0.1230 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 -0.6115 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1279 -1.0903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 21 1 0 0 0 0 2 14 1 0 0 0 0 2 49 1 0 0 0 0 3 27 1 0 0 0 0 3 32 1 0 0 0 0 4 27 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 11 1 0 0 0 0 6 12 1 0 0 0 0 6 34 1 0 0 0 0 7 9 1 0 0 0 0 7 35 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 10 1 0 0 0 0 9 39 1 0 0 0 0 9 40 1 0 0 0 0 10 41 1 0 0 0 0 10 42 1 0 0 0 0 11 13 1 0 0 0 0 11 14 2 0 0 0 0 12 19 2 0 0 0 0 12 20 1 0 0 0 0 13 15 2 0 0 0 0 13 18 1 0 0 0 0 14 16 1 0 0 0 0 15 17 1 0 0 0 0 16 17 1 0 0 0 0 16 22 2 0 0 0 0 17 23 2 0 0 0 0 18 21 2 0 0 0 0 18 27 1 0 0 0 0 19 24 1 0 0 0 0 19 43 1 0 0 0 0 20 25 2 0 0 0 0 20 44 1 0 0 0 0 21 28 1 0 0 0 0 22 29 1 0 0 0 0 22 45 1 0 0 0 0 23 30 1 0 0 0 0 23 46 1 0 0 0 0 24 26 2 0 0 0 0 24 47 1 0 0 0 0 25 26 1 0 0 0 0 25 48 1 0 0 0 0 26 31 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 28 52 1 0 0 0 0 29 30 2 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 31 55 1 0 0 0 0 31 56 1 0 0 0 0 31 57 1 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 32 59 1 0 0 0 0 33 60 1 0 0 0 0 33 61 1 0 0 0 0 33 62 1 0 0 0 0 M END > 40430697 > 1 > 671 > 5 > 1 > 6 > AAADceB6OAAAAAAAAAAAAAAAAAAAAWJAAAAwYMAAAAAAAEjB9AAAHgAACAAADCzhmAYyDsMABkCIAqDSCACCCAAkIAAIiAEMDMgMJzaOtRuGeWjn4BGIuYf//f/ewQADAAAYAACCAAYAADAAAAAAAAAAAA== > ethyl 5-hydroxy-2-methyl-4-[(S)-p-tolyl(pyrrolidin-1-yl)methyl]benzo[g]benzofuran-3-carboxylate > 5-hydroxy-2-methyl-4-[(S)-(4-methylphenyl)-(1-pyrrolidinyl)methyl]-3-benzo[g]benzofurancarboxylic acid ethyl ester > ethyl 5-hydroxy-2-methyl-4-[(S)-(4-methylphenyl)-pyrrolidin-1-ylmethyl]benzo[g][1]benzofuran-3-carboxylate > ethyl 5-hydroxy-2-methyl-4-[(S)-(4-methylphenyl)-pyrrolidin-1-ylmethyl]benzo[g][1]benzofuran-3-carboxylate > ethyl 2-methyl-4-[(S)-(4-methylphenyl)-pyrrolidin-1-yl-methyl]-5-oxidanyl-benzo[g][1]benzofuran-3-carboxylate > 5-hydroxy-2-methyl-4-[(S)-p-tolyl(pyrrolidino)methyl]benzo[g]benzofuran-3-carboxylic acid ethyl ester > InChI=1S/C28H29NO4/c1-4-32-28(31)22-18(3)33-27-21-10-6-5-9-20(21)26(30)24(23(22)27)25(29-15-7-8-16-29)19-13-11-17(2)12-14-19/h5-6,9-14,25,30H,4,7-8,15-16H2,1-3H3/t25-/m0/s1 > MFGPNBZKRBMEIK-VWLOTQADSA-N > 6.2 > 443.20965841 > C28H29NO4 > 443.5 > CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)C(C4=CC=C(C=C4)C)N5CCCC5)C > CCOC(=O)C1=C(OC2=C1C(=C(C3=CC=CC=C32)O)[C@H](C4=CC=C(C=C4)C)N5CCCC5)C > 62.9 > 443.20965841 > 0 > 33 > 1 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 1 15 8 1 21 8 11 13 8 11 14 8 12 19 8 12 20 8 13 15 8 13 18 8 14 16 8 15 17 8 16 17 8 16 22 8 17 23 8 18 21 8 19 24 8 20 25 8 22 29 8 23 30 8 24 26 8 25 26 8 29 30 8 6 5 6 $$$$