3-[3-(3-bromanylphenoxy)propanoylamino]butanoic acid

Systemtic Name: 3-[3-(3-bromanylphenoxy)propanoylamino]butanoic acid Openeye Name: 3-[3-(3-bromophenoxy)propanoylamino]butanoic acid CAS Name: 3-[[3-(3-bromophenoxy)-1-oxopropyl]amino]butanoic acid IUPAC Name: 3-[3-(3-bromophenoxy)propanoylamino]butanoic acid Traditional Name: 3-[3-(3-bromophenoxy)propanoylamino]butyric acid Formula: C13H16BrNO4 MolecularWeight: 330.17444

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CCOC1=CC(=CC=C1)Br

Isomeric SMILES

CC(CC(=O)O)NC(=O)CCOC1=CC(=CC=C1)Br

InChI

InChI=1S/C13H16BrNO4/c1-9(7-13(17)18)15-12(16)5-6-19-11-4-2-3-10(14)8-11/h2-4,8-9H,5-7H2,1H3,(H,15,16)(H,17,18)