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

Systemtic Name: [(1R)-1-cyanoethyl] 2-[(3-methylphenyl)carbonylamino]ethanoate Openeye Name: [(1R)-1-cyanoethyl] 2-[(3-methylbenzoyl)amino]acetate CAS Name: 2-[[(3-methylphenyl)-oxomethyl]amino]acetic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-[(3-methylbenzoyl)amino]acetate Traditional Name: 2-(m-toluoylamino)acetic acid [(1R)-1-cyanoethyl] ester Formula: C13H14N2O3 MolecularWeight: 246.26186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-9-4-3-5-11(6-9)13(17)15-8-12(16)18-10(2)7-14/h3-6,10H,8H2,1-2H3,(H,15,17)/t10-/m1/s1