[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] 3-methyl-2-[(4-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(p-toluoylamino)butyric acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C18H23N3O4 MolecularWeight: 345.39292

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NCCC#N

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)OCC(=O)NCCC#N

InChI

InChI=1S/C18H23N3O4/c1-12(2)16(18(24)25-11-15(22)20-10-4-9-19)21-17(23)14-7-5-13(3)6-8-14/h5-8,12,16H,4,10-11H2,1-3H3,(H,20,22)(H,21,23)