methyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)-1-oxoprop-2-enyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[(E)-3-(3,4-dimethoxyphenyl)prop-2-enoyl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[[(E)-3-(3,4-dimethoxyphenyl)acryloyl]amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C22H20N2O6 MolecularWeight: 408.404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H20N2O6/c1-28-18-10-8-14(12-19(18)29-2)9-11-20(25)23-24-13-17(22(27)30-3)15-6-4-5-7-16(15)21(24)26/h4-13H,1-3H3,(H,23,25)/b11-9+