[(1R)-1-cyanoethyl] 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-[(3,4-dimethylphenyl)carbonylamino]ethanoate Openeye Name: [(1R)-1-cyanoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate CAS Name: 2-[[(3,4-dimethylphenyl)-oxomethyl]amino]acetic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-[(3,4-dimethylbenzoyl)amino]acetate Traditional Name: 2-[(3,4-dimethylbenzoyl)amino]acetic acid [(1R)-1-cyanoethyl] ester Formula: C14H16N2O3 MolecularWeight: 260.28844

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N2O3/c1-9-4-5-12(6-10(9)2)14(18)16-8-13(17)19-11(3)7-15/h4-6,11H,8H2,1-3H3,(H,16,18)/t11-/m1/s1