60192882 -OEChem-05142408382D 62 66 0 1 0 0 0 0 0999 V2000 7.5673 -5.2280 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2462 -0.2284 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2960 4.8480 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8890 -1.9232 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -3.2280 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8352 -3.2280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8352 -2.2280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.8890 -3.5327 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7012 -3.7280 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3054 -2.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7012 -1.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -2.2280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7012 -4.7280 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5783 -0.9727 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6852 -0.6864 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4773 -1.7211 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5998 -0.7665 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5832 -0.1587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4853 -0.6795 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2892 0.1840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5794 0.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9570 0.9283 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3107 0.3903 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6464 1.8789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.3408 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5755 1.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6678 2.0851 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5717 2.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4358 3.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7037 3.3380 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4319 4.3446 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6999 4.3379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5640 4.8413 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2921 5.8480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7453 -4.0732 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7453 -1.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3516 -3.8419 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1400 -4.0996 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2382 -4.0380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8445 -2.3132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8445 -3.1427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1042 -3.5380 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0907 -4.6203 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4892 -5.3106 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1447 -0.3827 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0106 -2.0373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9860 -0.8538 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5793 -1.3861 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0234 -0.3716 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5673 -5.8480 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5637 0.8005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8966 -0.0712 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0604 2.3403 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3933 1.4686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4752 2.6744 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9739 3.0367 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1680 3.0259 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1617 4.6459 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5616 5.4613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9121 5.8503 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2897 6.4679 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6721 5.8456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 50 1 0 0 0 0 2 14 2 0 0 0 0 3 31 1 0 0 0 0 3 34 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 14 1 0 0 0 0 5 9 1 0 0 0 0 5 12 1 0 0 0 0 5 42 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 9 1 0 0 0 0 6 35 1 6 0 0 0 7 11 1 0 0 0 0 7 36 1 6 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 13 1 1 0 0 0 9 39 1 0 0 0 0 10 40 1 0 0 0 0 10 41 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 16 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 17 1 0 0 0 0 15 18 2 0 0 0 0 15 45 1 0 0 0 0 16 19 2 0 0 0 0 16 46 1 0 0 0 0 17 20 1 0 0 0 0 17 47 1 0 0 0 0 17 48 1 0 0 0 0 18 19 1 0 0 0 0 18 21 1 0 0 0 0 19 49 1 0 0 0 0 20 22 2 0 0 0 0 20 23 1 0 0 0 0 21 26 3 0 0 0 0 22 24 1 0 0 0 0 22 51 1 0 0 0 0 23 25 2 0 0 0 0 23 52 1 0 0 0 0 24 27 2 0 0 0 0 24 53 1 0 0 0 0 25 27 1 0 0 0 0 25 54 1 0 0 0 0 26 28 1 0 0 0 0 27 55 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 29 56 1 0 0 0 0 30 32 2 0 0 0 0 30 57 1 0 0 0 0 31 33 2 0 0 0 0 32 33 1 0 0 0 0 32 58 1 0 0 0 0 33 59 1 0 0 0 0 34 60 1 0 0 0 0 34 61 1 0 0 0 0 34 62 1 0 0 0 0 M END > 60192882 > 1 > 766 > 4 > 2 > 6 > AAADceB7MAAAAAAAAAAAAAAAAAAAAWAAAAA8YMEAAAAAAFixUAAAHgAQCAAADSzhmAYyxoPABgDIEiVSUAiCCAAhIgAIiIEObIgONjLE9ZuEcChk1hHY6Ae42PKOCAADAAACAAAQAAYAAAQAAAAAAAAAAA== > 1-[(3aR,4R,9bR)-4-(hydroxymethyl)-8-[2-(3-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenyl-ethanone > 1-[(3aR,4R,9bR)-4-(hydroxymethyl)-8-[2-(3-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone > 1-[(3aR,4R,9bR)-4-(hydroxymethyl)-8-[2-(3-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone > 1-[(3aR,4R,9bR)-4-(hydroxymethyl)-8-[2-(3-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenylethanone > 1-[(3aR,4R,9bR)-4-(hydroxymethyl)-8-[2-(3-methoxyphenyl)ethynyl]-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenyl-ethanone > 1-[(3aR,4R,9bR)-8-[2-(3-methoxyphenyl)ethynyl]-4-methylol-2,3,3a,4,5,9b-hexahydropyrrolo[3,2-c]quinolin-1-yl]-2-phenyl-ethanone > InChI=1S/C29H28N2O3/c1-34-23-9-5-8-21(16-23)10-11-22-12-13-26-25(17-22)29-24(27(19-32)30-26)14-15-31(29)28(33)18-20-6-3-2-4-7-20/h2-9,12-13,16-17,24,27,29-30,32H,14-15,18-19H2,1H3/t24-,27+,29-/m1/s1 > FAGYITCTOVFOOS-PZFKOMAXSA-N > 4.4 > 452.20999276 > C29H28N2O3 > 452.5 > COC1=CC=CC(=C1)C#CC2=CC3=C(C=C2)NC(C4C3N(CC4)C(=O)CC5=CC=CC=C5)CO > COC1=CC=CC(=C1)C#CC2=CC3=C(C=C2)N[C@H]([C@@H]4[C@H]3N(CC4)C(=O)CC5=CC=CC=C5)CO > 61.8 > 452.20999276 > 0 > 34 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 12 8 11 15 8 12 16 8 15 18 8 16 19 8 18 19 8 20 22 8 20 23 8 22 24 8 23 25 8 24 27 8 25 27 8 28 29 8 28 30 8 29 31 8 30 32 8 31 33 8 32 33 8 6 35 6 7 36 6 9 13 5 $$$$