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

Systemtic Name: 2-[[3,4-bis(fluoranyl)phenyl]-butanoyl-amino]ethanoic acid Openeye Name: 2-(N-butanoyl-3,4-difluoro-anilino)acetic acid CAS Name: 2-[3,4-difluoro-N-(1-oxobutyl)anilino]acetic acid IUPAC Name: 2-(N-butanoyl-3,4-difluoroanilino)acetic acid Traditional Name: 2-(N-butyryl-3,4-difluoro-anilino)acetic acid Formula: C12H13F2NO3 MolecularWeight: 257.233326

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13F2NO3/c1-2-3-11(16)15(7-12(17)18)8-4-5-9(13)10(14)6-8/h4-6H,2-3,7H2,1H3,(H,17,18)