3-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-pentanoic acid

Systemtic Name: 3-[(4-methylphenyl)carbonylamino]-4-oxidanylidene-pentanoic acid Openeye Name: 3-[(4-methylbenzoyl)amino]-4-oxo-pentanoic acid CAS Name: 3-[[(4-methylphenyl)-oxomethyl]amino]-4-oxopentanoic acid IUPAC Name: 3-[(4-methylbenzoyl)amino]-4-oxopentanoic acid Traditional Name: 4-keto-3-(p-toluoylamino)valeric acid Formula: C13H15NO4 MolecularWeight: 249.2625

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO4/c1-8-3-5-10(6-4-8)13(18)14-11(9(2)15)7-12(16)17/h3-6,11H,7H2,1-2H3,(H,14,18)(H,16,17)