4-[(3-chlorophenyl)amino]-4-oxidanylidene-2-(propan-2-ylamino)butanoic acid

Systemtic Name: 4-[(3-chlorophenyl)amino]-4-oxidanylidene-2-(propan-2-ylamino)butanoic acid Openeye Name: 4-(3-chloroanilino)-2-(isopropylamino)-4-oxo-butanoic acid CAS Name: 4-(3-chloroanilino)-4-oxo-2-(propan-2-ylamino)butanoic acid IUPAC Name: 4-(3-chloroanilino)-4-oxo-2-(propan-2-ylamino)butanoic acid Traditional Name: 4-(3-chloroanilino)-2-(isopropylamino)-4-keto-butyric acid Formula: C13H17ClN2O3 MolecularWeight: 284.73868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(CC(=O)NC1=CC(=CC=C1)Cl)C(=O)O

Isomeric SMILES

CC(C)NC(CC(=O)NC1=CC(=CC=C1)Cl)C(=O)O

InChI

InChI=1S/C13H17ClN2O3/c1-8(2)15-11(13(18)19)7-12(17)16-10-5-3-4-9(14)6-10/h3-6,8,11,15H,7H2,1-2H3,(H,16,17)(H,18,19)