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

Systemtic Name: [2-cyclopropyl-3-(4-methoxy-4-oxidanylidene-butyl)-7-methyl-6,8-bis(oxidanylidene)-5-phenyl-isoquinolin-7-yl] cyclopentanecarboxylate Openeye Name: [2-cyclopropyl-3-(4-methoxy-4-oxo-butyl)-7-methyl-6,8-dioxo-5-phenyl-7-isoquinolyl] cyclopentanecarboxylate CAS Name: cyclopentanecarboxylic acid [2-cyclopropyl-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-5-phenyl-7-isoquinolinyl] ester IUPAC Name: [2-cyclopropyl-3-(4-methoxy-4-oxobutyl)-7-methyl-6,8-dioxo-5-phenylisoquinolin-7-yl] cyclopentanecarboxylate Traditional Name: cyclopentanecarboxylic acid [2-cyclopropyl-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)C4CC4)OC(=O)C5CCCC5

Isomeric SMILES

CC1(C(=O)C2=CN(C(=CC2=C(C1=O)C3=CC=CC=C3)CCCC(=O)OC)C4CC4)OC(=O)C5CCCC5

InChI

InChI=1S/C30H33NO6/c1-30(37-29(35)20-11-6-7-12-20)27(33)24-18-31(21-15-16-21)22(13-8-14-25(32)36-2)17-23(24)26(28(30)34)19-9-4-3-5-10-19/h3-5,9-10,17-18,20-21H,6-8,11-16H2,1-2H3