methyl 2-(2-cyclohexylethanoylamino)-1-oxidanylidene-isoquinoline-4-carboxylate

Systemtic Name: methyl 2-(2-cyclohexylethanoylamino)-1-oxidanylidene-isoquinoline-4-carboxylate Openeye Name: methyl 2-[(2-cyclohexylacetyl)amino]-1-oxo-isoquinoline-4-carboxylate CAS Name: 2-[(2-cyclohexyl-1-oxoethyl)amino]-1-oxo-4-isoquinolinecarboxylic acid methyl ester IUPAC Name: methyl 2-[(2-cyclohexylacetyl)amino]-1-oxoisoquinoline-4-carboxylate Traditional Name: 2-[(2-cyclohexylacetyl)amino]-1-keto-isoquinoline-4-carboxylic acid methyl ester Formula: C19H22N2O4 MolecularWeight: 342.38898

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)CC3CCCCC3

Isomeric SMILES

COC(=O)C1=CN(C(=O)C2=CC=CC=C21)NC(=O)CC3CCCCC3

InChI

InChI=1S/C19H22N2O4/c1-25-19(24)16-12-21(18(23)15-10-6-5-9-14(15)16)20-17(22)11-13-7-3-2-4-8-13/h5-6,9-10,12-13H,2-4,7-8,11H2,1H3,(H,20,22)