3-[3-(2-chlorophenyl)propanoylamino]butanoic acid

Systemtic Name: 3-[3-(2-chlorophenyl)propanoylamino]butanoic acid Openeye Name: 3-[3-(2-chlorophenyl)propanoylamino]butanoic acid CAS Name: 3-[[3-(2-chlorophenyl)-1-oxopropyl]amino]butanoic acid IUPAC Name: 3-[3-(2-chlorophenyl)propanoylamino]butanoic acid Traditional Name: 3-[3-(2-chlorophenyl)propanoylamino]butyric acid Formula: C13H16ClNO3 MolecularWeight: 269.72404

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CCC1=CC=CC=C1Cl

Isomeric SMILES

CC(CC(=O)O)NC(=O)CCC1=CC=CC=C1Cl

InChI

InChI=1S/C13H16ClNO3/c1-9(8-13(17)18)15-12(16)7-6-10-4-2-3-5-11(10)14/h2-5,9H,6-8H2,1H3,(H,15,16)(H,17,18)