3-[[3,4-bis(fluoranyl)phenyl]-butanoyl-amino]propanoate

Systemtic Name: 3-[[3,4-bis(fluoranyl)phenyl]-butanoyl-amino]propanoate Openeye Name: 3-(N-butanoyl-3,4-difluoro-anilino)propanoate CAS Name: 3-[3,4-difluoro-N-(1-oxobutyl)anilino]propanoate IUPAC Name: 3-(N-butanoyl-3,4-difluoroanilino)propanoate Traditional Name: 3-(N-butyryl-3,4-difluoro-anilino)propionate Formula: C13H14F2NO3- MolecularWeight: 270.251966

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)N(CCC(=O)[O-])C1=CC(=C(C=C1)F)F

Isomeric SMILES

CCCC(=O)N(CCC(=O)[O-])C1=CC(=C(C=C1)F)F

InChI

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