methyl 2-(3-azanyl-5-methoxycarbonyl-phenyl)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(3-azanyl-5-methoxycarbonyl-phenyl)-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(3-amino-5-methoxycarbonyl-phenyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-(3-amino-5-methoxycarbonylphenyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-amino-5-methoxycarbonylphenyl)-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-(3-amino-5-carbomethoxy-phenyl)-1-keto-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C28H26N2O8 MolecularWeight: 518.51464

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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)OC)N)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C28H26N2O8/c1-34-21-12-15(13-22(35-2)25(21)36-3)23-19-8-6-7-9-20(19)26(31)30(24(23)28(33)38-5)18-11-16(27(32)37-4)10-17(29)14-18/h6-14H,29H2,1-5H3