(4-cyanophenyl)methyl 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate

Systemtic Name: (4-cyanophenyl)methyl 3-methyl-2-[(3-methylphenyl)carbonylamino]butanoate Openeye Name: (4-cyanophenyl)methyl 3-methyl-2-[(3-methylbenzoyl)amino]butanoate CAS Name: 3-methyl-2-[[(3-methylphenyl)-oxomethyl]amino]butanoic acid (4-cyanophenyl)methyl ester IUPAC Name: (4-cyanophenyl)methyl 3-methyl-2-[(3-methylbenzoyl)amino]butanoate Traditional Name: 3-methyl-2-(m-toluoylamino)butyric acid (4-cyanobenzyl) ester Formula: C21H22N2O3 MolecularWeight: 350.41098

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC=C(C=C2)C#N

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)NC(C(C)C)C(=O)OCC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H22N2O3/c1-14(2)19(23-20(24)18-6-4-5-15(3)11-18)21(25)26-13-17-9-7-16(12-22)8-10-17/h4-11,14,19H,13H2,1-3H3,(H,23,24)