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

Systemtic Name: methyl 2-[4-(aminomethyl)phenyl]-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-[4-(aminomethyl)phenyl]-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-[4-(aminomethyl)phenyl]-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[4-(aminomethyl)phenyl]-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-[4-(aminomethyl)phenyl]-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C27H26N2O6 MolecularWeight: 474.50514

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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)CN)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C27H26N2O6/c1-32-21-13-17(14-22(33-2)25(21)34-3)23-19-7-5-6-8-20(19)26(30)29(24(23)27(31)35-4)18-11-9-16(15-28)10-12-18/h5-14H,15,28H2,1-4H3