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

Systemtic Name: [3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-2-(2-methylpropyl)-6,8-bis(oxidanylidene)-5-phenyl-isoquinolin-7-yl] cyclopentanecarboxylate Openeye Name: [2-isobutyl-3-(4-methoxy-4-oxo-butyl)-7-methyl-6,8-dioxo-5-phenyl-7-isoquinolyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [3-(4-methoxy-4-oxobutyl)-7-methyl-2-(2-methylpropyl)-6,8-dioxo-5-phenyl-7-isoquinolinyl] ester IUPAC Name: [3-(4-methoxy-4-oxobutyl)-7-methyl-2-(2-methylpropyl)-6,8-dioxo-5-phenylisoquinolin-7-yl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-isobutyl-6,8-diketo-3-(4-keto-4-methoxy-butyl)-7-methyl-5-phenyl-7-isoquinolyl] ester Formula: C31H37NO6 MolecularWeight: 519.62858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C=C2C(=C(C(=O)C(C2=O)(C)OC(=O)C3CCCC3)C4=CC=CC=C4)C=C1CCCC(=O)OC

Isomeric SMILES

CC(C)CN1C=C2C(=C(C(=O)C(C2=O)(C)OC(=O)C3CCCC3)C4=CC=CC=C4)C=C1CCCC(=O)OC

InChI

InChI=1S/C31H37NO6/c1-20(2)18-32-19-25-24(17-23(32)15-10-16-26(33)37-4)27(21-11-6-5-7-12-21)29(35)31(3,28(25)34)38-30(36)22-13-8-9-14-22/h5-7,11-12,17,19-20,22H,8-10,13-16,18H2,1-4H3