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

Systemtic Name: methyl 2-[2-(3-methylphenyl)ethanoylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[[2-(m-tolyl)acetyl]amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[2-(3-methylphenyl)-1-oxoethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[[2-(3-methylphenyl)acetyl]amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-[[2-(m-tolyl)acetyl]amino]isoquinoline-4-carboxylic acid methyl ester Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

CC1=CC(=CC=C1)CC(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C20H18N2O4/c1-13-6-5-7-14(10-13)11-18(23)21-22-12-17(20(25)26-2)15-8-3-4-9-16(15)19(22)24/h3-10,12H,11H2,1-2H3,(H,21,23)