1-cyanoethyl 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: 1-cyanoethyl 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: 1-cyanoethyl 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid 1-cyanoethyl ester IUPAC Name: 1-cyanoethyl 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid 1-cyanoethyl ester Formula: C16H20N2O3 MolecularWeight: 288.3416

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OC(C)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OC(C)C#N

InChI

InChI=1S/C16H20N2O3/c1-10(2)14(16(20)21-12(4)9-17)18-15(19)13-7-5-6-11(3)8-13/h5-8,10,12,14H,1-4H3,(H,18,19)