4-[2-(3-chloranylphenoxy)propanoylamino]butanoic acid

Systemtic Name: 4-[2-(3-chloranylphenoxy)propanoylamino]butanoic acid Openeye Name: 4-[2-(3-chlorophenoxy)propanoylamino]butanoic acid CAS Name: 4-[[2-(3-chlorophenoxy)-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[2-(3-chlorophenoxy)propanoylamino]butanoic acid Traditional Name: 4-[2-(3-chlorophenoxy)propanoylamino]butyric acid Formula: C13H16ClNO4 MolecularWeight: 285.72344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCCCC(=O)O)OC1=CC(=CC=C1)Cl

Isomeric SMILES

CC(C(=O)NCCCC(=O)O)OC1=CC(=CC=C1)Cl

InChI

InChI=1S/C13H16ClNO4/c1-9(13(18)15-7-3-6-12(16)17)19-11-5-2-4-10(14)8-11/h2,4-5,8-9H,3,6-7H2,1H3,(H,15,18)(H,16,17)