Mrv1533004161518522D 30 31 0 0 0 0 999 V2000 0.7145 3.7125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 3.3000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 2.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.8250 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 0.8250 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -0.4125 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2868 -0.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5724 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3848 -1.0942 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8545 -2.0127 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6670 -2.1560 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1973 -1.5240 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9492 -2.9313 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8579 -2.4750 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.1434 -1.2375 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4289 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7145 -1.2375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -1.6500 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0000 -2.4750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7145 -2.8875 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 2 3 1 0 0 0 0 3 4 1 0 0 0 0 5 3 1 4 0 0 0 5 6 2 0 0 0 0 6 7 1 0 0 0 0 8 6 1 4 0 0 0 8 9 2 0 0 0 0 9 10 1 0 0 0 0 10 11 2 0 0 0 0 11 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 15 16 2 0 0 0 0 15 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 17 23 1 0 0 0 0 23 24 2 0 0 0 0 23 25 1 0 0 0 0 12 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 10 27 1 0 0 0 0 27 28 1 0 0 0 0 28 29 1 0 0 0 0 29 30 1 0 0 0 0 M END > NP0189818 > NP-MRD > CCC(C)C=C(C)C=CC1=CC2=C(Cl)C(=O)C(C)(OC(C)=O)C(=O)C2=CN1CCO > InChI=1S/C23H28ClNO5/c1-6-14(2)11-15(3)7-8-17-12-18-19(13-25(17)9-10-26)21(28)23(5,30-16(4)27)22(29)20(18)24/h7-8,11-14,26H,6,9-10H2,1-5H3 > ZQLIAKJHIRHCFA-UHFFFAOYSA-N > C23H28ClNO5 > 433.93 > 433.1656007 > 5 > 58 > 46.97671683931681 > 1 > 1 > 0 > 1 > 5-chloro-3-(3,5-dimethylhepta-1,3-dien-1-yl)-2-(2-hydroxyethyl)-7-methyl-6,8-dioxo-2,6,7,8-tetrahydroisoquinolin-7-yl acetate > 3.31 > 3.2776171766666664 > -4.76 > 0 > 2 > 0 > 15.565854596415434 > -2.551295199527888 > 83.91000000000001 > 121.30429999999996 > 8 > 1 > 7.60e-03 g/l > 5-chloro-3-(3,5-dimethylhepta-1,3-dien-1-yl)-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl acetate > 0 > NP0189818 > 5-chloro-3-(3,5-dimethylhepta-1,3-dien-1-yl)-2-(2-hydroxyethyl)-7-methyl-6,8-dioxoisoquinolin-7-yl acetate $$$$