methyl 1-oxidanylidene-2-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate

Systemtic Name: methyl 1-oxidanylidene-2-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Openeye Name: methyl 1-oxo-2-(3-pyridyl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate CAS Name: 1-oxo-2-(3-pyridinyl)-4-(3,4,5-trimethoxyphenyl)-3-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 1-oxo-2-pyridin-3-yl-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylate Traditional Name: 1-keto-2-(3-pyridyl)-4-(3,4,5-trimethoxyphenyl)isoquinoline-3-carboxylic acid methyl ester Formula: C25H22N2O6 MolecularWeight: 446.45198

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22N2O6/c1-30-19-12-15(13-20(31-2)23(19)32-3)21-17-9-5-6-10-18(17)24(28)27(22(21)25(29)33-4)16-8-7-11-26-14-16/h5-14H,1-4H3