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

Systemtic Name: [2-(cyclopropylmethyl)-3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)-5-phenyl-isoquinolin-7-yl] cyclopentanecarboxylate Openeye Name: [2-(cyclopropylmethyl)-3-(4-methoxy-4-oxo-butyl)-7-methyl-6,8-dioxo-5-phenyl-7-isoquinolyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-(cyclopropylmethyl)-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-5-phenyl-7-isoquinolinyl] ester IUPAC Name: [2-(cyclopropylmethyl)-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-5-phenylisoquinolin-7-yl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-(cyclopropylmethyl)-6,8-diketo-3-(4-keto-4-methoxy-butyl)-7-methyl-5-phenyl-7-isoquinolyl] ester Formula: C31H35NO6 MolecularWeight: 517.6127

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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)CC4CC4)OC(=O)C5CCCC5

Isomeric SMILES

CC1(C(=O)C2=CN(C(=CC2=C(C1=O)C3=CC=CC=C3)CCCC(=O)OC)CC4CC4)OC(=O)C5CCCC5

InChI

InChI=1S/C31H35NO6/c1-31(38-30(36)22-11-6-7-12-22)28(34)25-19-32(18-20-15-16-20)23(13-8-14-26(33)37-2)17-24(25)27(29(31)35)21-9-4-3-5-10-21/h3-5,9-10,17,19-20,22H,6-8,11-16,18H2,1-2H3