methyl 2-[2-(3,4-dimethoxyphenyl)ethanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[2-(3,4-dimethoxyphenyl)ethanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[2-(3,4-dimethoxyphenyl)-1-oxoethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3,4-dimethoxyphenyl)acetyl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-(homoveratroylamino)-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC)OC

InChI

InChI=1S/C21H20N2O6/c1-27-17-9-8-13(10-18(17)28-2)11-19(24)22-23-12-16(21(26)29-3)14-6-4-5-7-15(14)20(23)25/h4-10,12H,11H2,1-3H3,(H,22,24)