4-[(5-bromanyl-2-fluoranyl-phenyl)carbonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[(5-bromanyl-2-fluoranyl-phenyl)carbonyl-methyl-amino]butanoic acid Openeye Name: 4-[(5-bromo-2-fluoro-benzoyl)-methyl-amino]butanoic acid CAS Name: 4-[[(5-bromo-2-fluorophenyl)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(5-bromo-2-fluorobenzoyl)-methylamino]butanoic acid Traditional Name: 4-[(5-bromo-2-fluoro-benzoyl)-methyl-amino]butyric acid Formula: C12H13BrFNO3 MolecularWeight: 318.138923

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C1=C(C=CC(=C1)Br)F

Isomeric SMILES

CN(CCCC(=O)O)C(=O)C1=C(C=CC(=C1)Br)F

InChI

InChI=1S/C12H13BrFNO3/c1-15(6-2-3-11(16)17)12(18)9-7-8(13)4-5-10(9)14/h4-5,7H,2-3,6H2,1H3,(H,16,17)