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

Systemtic Name: 3-[3-(3-bromophenyl)propanoylamino]butanoic acid Openeye Name: 3-[3-(3-bromophenyl)propanoylamino]butanoic acid CAS Name: 3-[[3-(3-bromophenyl)-1-oxopropyl]amino]butanoic acid IUPAC Name: 3-[3-(3-bromophenyl)propanoylamino]butanoic acid Traditional Name: 3-[3-(3-bromophenyl)propanoylamino]butyric acid Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC(=O)O)NC(=O)CCC1=CC(=CC=C1)Br

Isomeric SMILES

CC(CC(=O)O)NC(=O)CCC1=CC(=CC=C1)Br

InChI

InChI=1S/C13H16BrNO3/c1-9(7-13(17)18)15-12(16)6-5-10-3-2-4-11(14)8-10/h2-4,8-9H,5-7H2,1H3,(H,15,16)(H,17,18)