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

Systemtic Name: 4-[(2-methylphenyl)carbonylamino]butanoic acid Openeye Name: 4-[(2-methylbenzoyl)amino]butanoic acid CAS Name: 4-[[(2-methylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 4-[(2-methylbenzoyl)amino]butanoic acid Traditional Name: 4-(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)NCCCC(=O)O

Isomeric SMILES

CC1=CC=CC=C1C(=O)NCCCC(=O)O

InChI

InChI=1S/C12H15NO3/c1-9-5-2-3-6-10(9)12(16)13-8-4-7-11(14)15/h2-3,5-6H,4,7-8H2,1H3,(H,13,16)(H,14,15)