[2-cyclohexyl-3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)-5-phenyl-isoquinolin-7-yl] cyclopentanecarboxylate

Systemtic Name: [2-cyclohexyl-3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)-5-phenyl-isoquinolin-7-yl] cyclopentanecarboxylate Openeye Name: [2-cyclohexyl-3-(4-methoxy-4-oxo-butyl)-7-methyl-6,8-dioxo-5-phenyl-7-isoquinolyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-cyclohexyl-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-5-phenyl-7-isoquinolinyl] ester IUPAC Name: [2-cyclohexyl-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-5-phenylisoquinolin-7-yl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-cyclohexyl-6,8-diketo-3-(4-keto-4-methoxy-butyl)-7-methyl-5-phenyl-7-isoquinolyl] ester Formula: C33H39NO6 MolecularWeight: 545.66586

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(=O)C2=CN(C(=CC2=C(C1=O)C3=CC=CC=C3)CCCC(=O)OC)C4CCCCC4)OC(=O)C5CCCC5

Isomeric SMILES

CC1(C(=O)C2=CN(C(=CC2=C(C1=O)C3=CC=CC=C3)CCCC(=O)OC)C4CCCCC4)OC(=O)C5CCCC5

InChI

InChI=1S/C33H39NO6/c1-33(40-32(38)23-14-9-10-15-23)30(36)27-21-34(24-16-7-4-8-17-24)25(18-11-19-28(35)39-2)20-26(27)29(31(33)37)22-12-5-3-6-13-22/h3,5-6,12-13,20-21,23-24H,4,7-11,14-19H2,1-2H3