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

Systemtic Name: 3-[(4-methylphenyl)carbonylamino]butanoic acid Openeye Name: 3-[(4-methylbenzoyl)amino]butanoic acid CAS Name: 3-[[(4-methylphenyl)-oxomethyl]amino]butanoic acid IUPAC Name: 3-[(4-methylbenzoyl)amino]butanoic acid Traditional Name: 3-(p-toluoylamino)butyric acid Formula: C12H15NO3 MolecularWeight: 221.2524

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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