cyanomethyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate

Systemtic Name: cyanomethyl (2S)-3-methyl-2-[(2-methylphenyl)carbonylamino]butanoate Openeye Name: cyanomethyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate CAS Name: (2S)-3-methyl-2-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-3-methyl-2-[(2-methylbenzoyl)amino]butanoate Traditional Name: (2S)-3-methyl-2-(o-toluoylamino)butyric acid cyanomethyl ester Formula: C15H18N2O3 MolecularWeight: 274.31502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C(C)C)C(=O)OCC#N

Isomeric SMILES

CC1=CC=CC=C1C(=O)N[C@@H](C(C)C)C(=O)OCC#N

InChI

InChI=1S/C15H18N2O3/c1-10(2)13(15(19)20-9-8-16)17-14(18)12-7-5-4-6-11(12)3/h4-7,10,13H,9H2,1-3H3,(H,17,18)/t13-/m0/s1