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

Systemtic Name: methyl 6,7-dimethoxy-1-oxidanylidene-2-(pyridin-3-ylmethyl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 6,7-dimethoxy-1-oxo-2-(3-pyridylmethyl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 6,7-dimethoxy-1-oxo-2-(3-pyridinylmethyl)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 6,7-dimethoxy-1-oxo-2-(pyridin-3-ylmethyl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-keto-6,7-dimethoxy-2-(3-pyridylmethyl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C28H28N2O8 MolecularWeight: 520.53052

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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)CC4=CN=CC=C4)C(=O)OC

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)C2=C(N(C(=O)C3=CC(=C(C=C32)OC)OC)CC4=CN=CC=C4)C(=O)OC

InChI

InChI=1S/C28H28N2O8/c1-33-20-12-18-19(13-21(20)34-2)27(31)30(15-16-8-7-9-29-14-16)25(28(32)38-6)24(18)17-10-22(35-3)26(37-5)23(11-17)36-4/h7-14H,15H2,1-6H3