butyl 4-(4-butoxy-3,5-dimethoxy-phenyl)-1-oxidanylidene-2-phenyl-isoquinoline-3-carboxylate

Systemtic Name: butyl 4-(4-butoxy-3,5-dimethoxy-phenyl)-1-oxidanylidene-2-phenyl-isoquinoline-3-carboxylate Openeye Name: butyl 4-(4-butoxy-3,5-dimethoxy-phenyl)-1-oxo-2-phenyl-isoquinoline-3-carboxylate CAS Name: 4-(4-butoxy-3,5-dimethoxyphenyl)-1-oxo-2-phenyl-3-isoquinolinecarboxylic acid butyl ester IUPAC Name: butyl 4-(4-butoxy-3,5-dimethoxyphenyl)-1-oxo-2-phenylisoquinoline-3-carboxylate Traditional Name: 4-(4-butoxy-3,5-dimethoxy-phenyl)-1-keto-2-phenyl-isoquinoline-3-carboxylic acid butyl ester Formula: C32H35NO6 MolecularWeight: 529.6234

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1OC)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C(=O)OCCCC)OC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1OC)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C(=O)OCCCC)OC

InChI

InChI=1S/C32H35NO6/c1-5-7-18-38-30-26(36-3)20-22(21-27(30)37-4)28-24-16-12-13-17-25(24)31(34)33(23-14-10-9-11-15-23)29(28)32(35)39-19-8-6-2/h9-17,20-21H,5-8,18-19H2,1-4H3