Mrv1533004191514562D 27 31 0 0 0 0 999 V2000 0.6623 -2.1398 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8881 -1.3463 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3139 -0.7540 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4862 -0.9551 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 0.5398 0.0395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4747 0.0989 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6591 0.5966 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1271 1.2997 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2467 1.2550 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4241 1.8848 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1428 2.6726 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0607 1.5243 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8165 1.8551 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4809 1.3659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3894 0.5460 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0538 0.0569 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8096 0.3877 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6336 0.2152 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9693 0.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1612 0.5379 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1379 1.8068 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6210 2.3663 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4355 1.9611 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2696 1.5978 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 0.6568 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0666 0.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1153 -0.5364 0.0000 C 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 2 0 0 0 0 3 5 1 0 0 0 0 5 6 1 0 0 0 0 6 7 1 0 0 0 0 7 8 1 0 0 0 0 8 9 1 0 0 0 0 9 10 1 0 0 0 0 10 11 1 0 0 0 0 10 12 1 0 0 0 0 12 13 2 0 0 0 0 13 14 1 0 0 0 0 14 15 2 0 0 0 0 15 16 1 0 0 0 0 16 17 1 0 0 0 0 15 18 1 0 0 0 0 18 19 2 0 0 0 0 12 19 1 0 0 0 0 19 20 1 0 0 0 0 5 20 1 0 0 0 0 9 20 1 0 0 0 0 20 21 1 0 0 0 0 21 22 1 0 0 0 0 22 23 1 0 0 0 0 8 23 1 0 0 0 0 23 24 1 0 0 0 0 24 25 1 0 0 0 0 6 25 1 0 0 0 0 25 26 2 0 0 0 0 26 27 1 0 0 0 0 M END > NP0319173 > NP-MRD > COC(=O)C1C2CC3C4N(C)C5=CC=C(OC)C=C5C14CCN3C\C2=C\C > InChI=1S/C22H28N2O3/c1-5-13-12-24-9-8-22-16-10-14(26-3)6-7-17(16)23(2)20(22)18(24)11-15(13)19(22)21(25)27-4/h5-7,10,15,18-20H,8-9,11-12H2,1-4H3/b13-5- > CZQHEAVUHGUKFA-ACAGNQJTSA-N > C22H28N2O3 > 368.477 > 368.20999277 > 4 > 55 > 40.703198598586916 > 1 > 0 > 0 > 1 > methyl (13E)-13-ethylidene-4-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6-triene-18-carboxylate > 3.48 > 2.4507713406666674 > -2.98 > 0 > 5 > 1 > 8.703674522431209 > 42.01 > 105.89899999999999 > 3 > 1 > 3.85e-01 g/l > methyl (13E)-13-ethylidene-4-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6-triene-18-carboxylate > 0 > NP0319173 > methyl (13e)-13-ethylidene-4-methoxy-8-methyl-8,15-diazapentacyclo[10.5.1.0¹,⁹.0²,⁷.0¹⁰,¹⁵]octadeca-2,4,6-triene-18-carboxylate $$$$