cyanomethyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate

Systemtic Name: cyanomethyl (2S)-2-[(3-methylphenyl)carbonylamino]propanoate Openeye Name: cyanomethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate CAS Name: (2S)-2-[[(3-methylphenyl)-oxomethyl]amino]propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl (2S)-2-[(3-methylbenzoyl)amino]propanoate Traditional Name: (2S)-2-(m-toluoylamino)propionic acid cyanomethyl ester Formula: C13H14N2O3 MolecularWeight: 246.26186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N2O3/c1-9-4-3-5-11(8-9)12(16)15-10(2)13(17)18-7-6-14/h3-5,8,10H,7H2,1-2H3,(H,15,16)/t10-/m0/s1