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

Systemtic Name: butyl 1-oxidanylidene-2-phenyl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: butyl 1-oxo-2-phenyl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 1-oxo-2-phenyl-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid butyl ester IUPAC Name: butyl 1-oxo-2-phenyl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-keto-2-phenyl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid butyl ester Formula: C29H29NO6 MolecularWeight: 487.54366

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=C(C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC

Isomeric SMILES

CCCCOC(=O)C1=C(C2=CC=CC=C2C(=O)N1C3=CC=CC=C3)C4=CC(=C(C(=C4)OC)OC)OC

InChI

InChI=1S/C29H29NO6/c1-5-6-16-36-29(32)26-25(19-17-23(33-2)27(35-4)24(18-19)34-3)21-14-10-11-15-22(21)28(31)30(26)20-12-8-7-9-13-20/h7-15,17-18H,5-6,16H2,1-4H3