4-[[2-chloranyl-4,5-bis(fluoranyl)phenyl]carbonyl-methyl-amino]butanoic acid

Systemtic Name: 4-[[2-chloranyl-4,5-bis(fluoranyl)phenyl]carbonyl-methyl-amino]butanoic acid Openeye Name: 4-[(2-chloro-4,5-difluoro-benzoyl)-methyl-amino]butanoic acid CAS Name: 4-[[(2-chloro-4,5-difluorophenyl)-oxomethyl]-methylamino]butanoic acid IUPAC Name: 4-[(2-chloro-4,5-difluorobenzoyl)-methylamino]butanoic acid Traditional Name: 4-[(2-chloro-4,5-difluoro-benzoyl)-methyl-amino]butyric acid Formula: C12H12ClF2NO3 MolecularWeight: 291.678386

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C(=O)C1=CC(=C(C=C1Cl)F)F

Isomeric SMILES

CN(CCCC(=O)O)C(=O)C1=CC(=C(C=C1Cl)F)F

InChI

InChI=1S/C12H12ClF2NO3/c1-16(4-2-3-11(17)18)12(19)7-5-9(14)10(15)6-8(7)13/h5-6H,2-4H2,1H3,(H,17,18)