60188709 -OEChem-04252411092D 60 64 0 1 0 0 0 0 0999 V2000 5.0302 0.5233 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3512 -4.4763 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3518 4.5930 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6730 -1.1716 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3512 -2.4763 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 5.6192 -2.4763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 5.6192 -1.4763 0.0000 C 0 0 1 0 0 0 0 0 0 0 0 0 6.4852 -2.9763 0.0000 C 0 0 2 0 0 0 0 0 0 0 0 0 4.6730 -2.7810 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0894 -1.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4852 -0.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3838 -0.0148 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3623 -0.2210 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3512 -1.4763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8377 0.8229 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5461 -0.5609 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4852 -3.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4692 0.0652 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2173 -2.9763 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2613 -0.9694 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3672 0.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2693 0.0722 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3634 1.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4954 2.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2274 2.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4916 3.0896 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2236 3.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3556 3.5930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2159 5.0963 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5293 -3.3215 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5293 -0.6311 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0222 -3.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1356 -3.0902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9240 -3.3479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6285 -1.5616 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6285 -2.3910 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4979 -0.6242 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3571 1.1615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4992 1.3423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0267 -0.8995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8847 -1.0803 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8746 -3.8686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2732 -4.5589 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6614 0.7962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4806 -0.0617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9287 0.3690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9073 -3.5132 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7542 -3.2863 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5273 -2.4394 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7946 -1.2856 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8074 0.3801 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3512 -5.0963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9597 1.7776 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7656 1.7884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9534 3.3976 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7593 3.4084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5280 4.5606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7516 5.4084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9038 5.6320 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 17 1 0 0 0 0 2 53 1 0 0 0 0 3 29 1 0 0 0 0 3 30 1 0 0 0 0 4 7 1 0 0 0 0 4 10 1 0 0 0 0 4 13 1 0 0 0 0 5 8 1 0 0 0 0 5 14 1 0 0 0 0 5 20 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 31 1 1 0 0 0 7 11 1 0 0 0 0 7 32 1 1 0 0 0 8 17 1 1 0 0 0 8 33 1 0 0 0 0 9 10 1 0 0 0 0 9 34 1 0 0 0 0 9 35 1 0 0 0 0 10 36 1 0 0 0 0 10 37 1 0 0 0 0 11 14 2 0 0 0 0 11 19 1 0 0 0 0 12 13 1 0 0 0 0 12 15 1 0 0 0 0 12 16 1 0 0 0 0 12 38 1 0 0 0 0 14 21 1 0 0 0 0 15 18 1 0 0 0 0 15 39 1 0 0 0 0 15 40 1 0 0 0 0 16 18 1 0 0 0 0 16 41 1 0 0 0 0 16 42 1 0 0 0 0 17 43 1 0 0 0 0 17 44 1 0 0 0 0 18 45 1 0 0 0 0 18 46 1 0 0 0 0 19 22 2 0 0 0 0 19 47 1 0 0 0 0 20 48 1 0 0 0 0 20 49 1 0 0 0 0 20 50 1 0 0 0 0 21 23 2 0 0 0 0 21 51 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 52 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 54 1 0 0 0 0 26 28 2 0 0 0 0 26 55 1 0 0 0 0 27 29 2 0 0 0 0 27 56 1 0 0 0 0 28 29 1 0 0 0 0 28 57 1 0 0 0 0 30 58 1 0 0 0 0 30 59 1 0 0 0 0 30 60 1 0 0 0 0 M END > 60188709 > 1 > 616 > 4 > 1 > 4 > AAADceB7MAAAAAAAAAAAAAAAAABgAWAAAAA8YIAAAAAAAFixQAAAHgAACAAADSzhmAYyxoMABgCIAiVSUACCCAAhIgAIiAEObIgONjLE8ZuEcChkxhHY6Ae40PIOqAACAAACAABQAAQAAAQAAAAAAAAAAA== > [(3aR,4R,9bS)-4-(hydroxymethyl)-8-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclobutyl-methanone > [(3aR,4R,9bS)-4-(hydroxymethyl)-8-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclobutylmethanone > [(3aR,4R,9bS)-4-(hydroxymethyl)-8-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclobutylmethanone > [(3aR,4R,9bS)-4-(hydroxymethyl)-8-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclobutylmethanone > [(3aR,4R,9bS)-4-(hydroxymethyl)-8-(4-methoxyphenyl)-5-methyl-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclobutyl-methanone > [(3aR,4R,9bS)-8-(4-methoxyphenyl)-5-methyl-4-methylol-3,3a,4,9b-tetrahydro-2H-pyrrolo[3,2-c]quinolin-1-yl]-cyclobutyl-methanone > InChI=1S/C25H30N2O3/c1-26-22-11-8-18(16-6-9-19(30-2)10-7-16)14-21(22)24-20(23(26)15-28)12-13-27(24)25(29)17-4-3-5-17/h6-11,14,17,20,23-24,28H,3-5,12-13,15H2,1-2H3/t20-,23-,24-/m0/s1 > QKHFOHXBMCTHBV-OYDLWJJNSA-N > 3.5 > 406.22564282 > C25H30N2O3 > 406.5 > CN1C(C2CCN(C2C3=C1C=CC(=C3)C4=CC=C(C=C4)OC)C(=O)C5CCC5)CO > CN1[C@H]([C@@H]2CCN([C@@H]2C3=C1C=CC(=C3)C4=CC=C(C=C4)OC)C(=O)C5CCC5)CO > 53 > 406.22564282 > 0 > 30 > 3 > 0 > 0 > 0 > 0 > 1 > -1 > 1 5 255 > 11 14 8 11 19 8 14 21 8 19 22 8 21 23 8 22 23 8 24 25 8 24 26 8 25 27 8 26 28 8 27 29 8 28 29 8 6 31 5 7 32 5 8 17 5 $$$$