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

Systemtic Name: (phenylmethyl) 1-oxidanylidene-2-phenyl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: benzyl 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 (phenylmethyl) ester IUPAC Name: benzyl 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 benzyl ester Formula: C32H27NO6 MolecularWeight: 521.55988

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC=CC=C32)C4=CC=CC=C4)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C32H27NO6/c1-36-26-18-22(19-27(37-2)30(26)38-3)28-24-16-10-11-17-25(24)31(34)33(23-14-8-5-9-15-23)29(28)32(35)39-20-21-12-6-4-7-13-21/h4-19H,20H2,1-3H3