methyl 2-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 2-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-1-oxidanylidene-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 2-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 2-[3-(1-imidazolyl)propyl]-6,7-dimethoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-(3-imidazol-1-ylpropyl)-6,7-dimethoxy-1-oxo-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 2-(3-imidazol-1-ylpropyl)-1-keto-6,7-dimethoxy-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C28H31N3O8 MolecularWeight: 537.56104

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)CCCN4C=CN=C4)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)CCCN4C=CN=C4)C(=O)OC

InChI

InChI=1S/C28H31N3O8/c1-34-20-14-18-19(15-21(20)35-2)27(32)31(10-7-9-30-11-8-29-16-30)25(28(33)39-6)24(18)17-12-22(36-3)26(38-5)23(13-17)37-4/h8,11-16H,7,9-10H2,1-6H3