3-[[2,4-bis(fluoranyl)phenyl]-butanoyl-amino]propanoic acid

Systemtic Name: 3-[[2,4-bis(fluoranyl)phenyl]-butanoyl-amino]propanoic acid Openeye Name: 3-(N-butanoyl-2,4-difluoro-anilino)propanoic acid CAS Name: 3-[2,4-difluoro-N-(1-oxobutyl)anilino]propanoic acid IUPAC Name: 3-(N-butanoyl-2,4-difluoroanilino)propanoic acid Traditional Name: 3-(N-butyryl-2,4-difluoro-anilino)propionic acid Formula: C13H15F2NO3 MolecularWeight: 271.259906

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CCC(=O)O)C1=C(C=C(C=C1)F)F

Isomeric SMILES

CCCC(=O)N(CCC(=O)O)C1=C(C=C(C=C1)F)F

InChI

InChI=1S/C13H15F2NO3/c1-2-3-12(17)16(7-6-13(18)19)11-5-4-9(14)8-10(11)15/h4-5,8H,2-3,6-7H2,1H3,(H,18,19)