4-[3-(3-bromophenyl)propanoylamino]butanoic acid

Systemtic Name: 4-[3-(3-bromophenyl)propanoylamino]butanoic acid Openeye Name: 4-[3-(3-bromophenyl)propanoylamino]butanoic acid CAS Name: 4-[[3-(3-bromophenyl)-1-oxopropyl]amino]butanoic acid IUPAC Name: 4-[3-(3-bromophenyl)propanoylamino]butanoic acid Traditional Name: 4-[3-(3-bromophenyl)propanoylamino]butyric acid Formula: C13H16BrNO3 MolecularWeight: 314.17504

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)CCC(=O)NCCCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Br)CCC(=O)NCCCC(=O)O

InChI

InChI=1S/C13H16BrNO3/c14-11-4-1-3-10(9-11)6-7-12(16)15-8-2-5-13(17)18/h1,3-4,9H,2,5-8H2,(H,15,16)(H,17,18)