methyl 2-[(4-methylcyclohexyl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-[(4-methylcyclohexyl)carbonylamino]-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[(4-methylcyclohexanecarbonyl)amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[[(4-methylcyclohexyl)-oxomethyl]amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(4-methylcyclohexanecarbonyl)amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 1-keto-2-[(4-methylcyclohexanecarbonyl)amino]isoquinoline-4-carboxylic acid methyl ester Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(CC1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

Isomeric SMILES

CC1CCC(CC1)C(=O)NN2C=C(C3=CC=CC=C3C2=O)C(=O)OC

InChI

InChI=1S/C19H22N2O4/c1-12-7-9-13(10-8-12)17(22)20-21-11-16(19(24)25-2)14-5-3-4-6-15(14)18(21)23/h3-6,11-13H,7-10H2,1-2H3,(H,20,22)