methyl 1-oxidanylidene-2-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 1-oxidanylidene-2-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-[4-(benzyloxycarbonylaminomethyl)phenyl]-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 1-oxo-2-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-[4-(phenylmethoxycarbonylaminomethyl)phenyl]-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-[4-(benzyloxycarbonylaminomethyl)phenyl]-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C35H32N2O8 MolecularWeight: 608.63718

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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=C(C=C4)CNC(=O)OCC5=CC=CC=C5)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C35H32N2O8/c1-41-28-18-24(19-29(42-2)32(28)43-3)30-26-12-8-9-13-27(26)33(38)37(31(30)34(39)44-4)25-16-14-22(15-17-25)20-36-35(40)45-21-23-10-6-5-7-11-23/h5-19H,20-21H2,1-4H3,(H,36,40)