4-(4-chlorophenyl)-4-oxidanylidene-2-(propan-2-ylamino)butanoic acid hydrate

Systemtic Name: 4-(4-chlorophenyl)-4-oxidanylidene-2-(propan-2-ylamino)butanoic acid hydrate Openeye Name: 4-(4-chlorophenyl)-2-(isopropylamino)-4-oxo-butanoic acid hydrate CAS Name: 4-(4-chlorophenyl)-4-oxo-2-(propan-2-ylamino)butanoic acid hydrate IUPAC Name: 4-(4-chlorophenyl)-4-oxo-2-(propan-2-ylamino)butanoic acid hydrate Traditional Name: 4-(4-chlorophenyl)-2-(isopropylamino)-4-keto-butyric acid hydrate Formula: C13H18ClNO4 MolecularWeight: 287.73932

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO3.H2O/c1-8(2)15-11(13(17)18)7-12(16)9-3-5-10(14)6-4-9;/h3-6,8,11,15H,7H2,1-2H3,(H,17,18);1H2