[(1R)-1-cyanoethyl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: [(1R)-1-cyanoethyl] (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: [(1R)-1-cyanoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid [(1R)-1-cyanoethyl] ester Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=CC(=C1)C(=O)N[C@@H](C)C(=O)O[C@H](C)C#N

InChI

InChI=1S/C14H16N2O3/c1-9-5-4-6-12(7-9)13(17)16-11(3)14(18)19-10(2)8-15/h4-7,10-11H,1-3H3,(H,16,17)/t10-,11+/m1/s1