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

Systemtic Name: [3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)-5-phenyl-2-prop-2-enyl-isoquinolin-7-yl] cyclopentanecarboxylate Openeye Name: [2-allyl-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-6,8-dioxo-5-phenyl-2-prop-2-enyl-7-isoquinolinyl] ester IUPAC Name: [3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-5-phenyl-2-prop-2-enylisoquinolin-7-yl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-allyl-6,8-diketo-3-(4-keto-4-methoxy-butyl)-7-methyl-5-phenyl-7-isoquinolyl] ester Formula: C30H33NO6 MolecularWeight: 503.58612

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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)CC=C)OC(=O)C4CCCC4

Isomeric SMILES

CC1(C(=O)C2=CN(C(=CC2=C(C1=O)C3=CC=CC=C3)CCCC(=O)OC)CC=C)OC(=O)C4CCCC4

InChI

InChI=1S/C30H33NO6/c1-4-17-31-19-24-23(18-22(31)15-10-16-25(32)36-3)26(20-11-6-5-7-12-20)28(34)30(2,27(24)33)37-29(35)21-13-8-9-14-21/h4-7,11-12,18-19,21H,1,8-10,13-17H2,2-3H3