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

Systemtic Name: [3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-2-(4-oxidanylbutyl)-6,8-bis(oxidanylidene)-5-phenyl-isoquinolin-7-yl] cyclopentanecarboxylate Openeye Name: [2-(4-hydroxybutyl)-3-(4-methoxy-4-oxo-butyl)-7-methyl-6,8-dioxo-5-phenyl-7-isoquinolyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-(4-hydroxybutyl)-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-5-phenyl-7-isoquinolinyl] ester IUPAC Name: [2-(4-hydroxybutyl)-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-5-phenylisoquinolin-7-yl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-(4-hydroxybutyl)-6,8-diketo-3-(4-keto-4-methoxy-butyl)-7-methyl-5-phenyl-7-isoquinolyl] ester Formula: C31H37NO7 MolecularWeight: 535.62798

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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)CCCCO)OC(=O)C4CCCC4

Isomeric SMILES

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

InChI

InChI=1S/C31H37NO7/c1-31(39-30(37)22-13-6-7-14-22)28(35)25-20-32(17-8-9-18-33)23(15-10-16-26(34)38-2)19-24(25)27(29(31)36)21-11-4-3-5-12-21/h3-5,11-12,19-20,22,33H,6-10,13-18H2,1-2H3