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

Systemtic Name: 3-[(2-methylphenyl)carbonylamino]butanoic acid Openeye Name: 3-[(2-methylbenzoyl)amino]butanoic acid CAS Name: 3-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(2-methylbenzoyl)amino]butanoic acid Traditional Name: 3-(o-toluoylamino)butyric acid Formula: C12H15NO3 MolecularWeight: 221.2524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1C(=O)NC(C)CC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NC(C)CC(=O)O

InChI

InChI=1S/C12H15NO3/c1-8-5-3-4-6-10(8)12(16)13-9(2)7-11(14)15/h3-6,9H,7H2,1-2H3,(H,13,16)(H,14,15)