3-methyl-2-[(4-methylphenyl)carbonylamino]butanoic acid

Systemtic Name: 3-methyl-2-[(4-methylphenyl)carbonylamino]butanoic acid Openeye Name: 3-methyl-2-[(4-methylbenzoyl)amino]butanoic acid CAS Name: 3-methyl-2-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-methyl-2-[(4-methylbenzoyl)amino]butanoic acid Traditional Name: 3-methyl-2-(p-toluoylamino)butyric acid Formula: C13H17NO3 MolecularWeight: 235.27898

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)NC(C(C)C)C(=O)O

InChI

InChI=1S/C13H17NO3/c1-8(2)11(13(16)17)14-12(15)10-6-4-9(3)5-7-10/h4-8,11H,1-3H3,(H,14,15)(H,16,17)