4-[3-(4-chlorophenyl)propylamino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[3-(4-chlorophenyl)propylamino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[3-(4-chlorophenyl)propylamino]-4-oxo-butanoic acid CAS Name: 4-[3-(4-chlorophenyl)propylamino]-4-oxobutanoic acid IUPAC Name: 4-[3-(4-chlorophenyl)propylamino]-4-oxobutanoic acid Traditional Name: 4-[3-(4-chlorophenyl)propylamino]-4-keto-butyric acid Formula: C13H16ClNO3 MolecularWeight: 269.72404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCCNC(=O)CCC(=O)O)Cl

Isomeric SMILES

C1=CC(=CC=C1CCCNC(=O)CCC(=O)O)Cl

InChI

InChI=1S/C13H16ClNO3/c14-11-5-3-10(4-6-11)2-1-9-15-12(16)7-8-13(17)18/h3-6H,1-2,7-9H2,(H,15,16)(H,17,18)