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

Systemtic Name: 3-[[3,4-bis(fluoranyl)phenyl]-(3-methylbutanoyl)amino]propanoate Openeye Name: 3-[3,4-difluoro-N-(3-methylbutanoyl)anilino]propanoate CAS Name: 3-(3,4-difluoro-N-(3-methyl-1-oxobutyl)anilino)propanoate IUPAC Name: 3-[3,4-difluoro-N-(3-methylbutanoyl)anilino]propanoate Traditional Name: 3-(3,4-difluoro-N-isovaleryl-anilino)propionate Formula: C14H16F2NO3- MolecularWeight: 284.278546

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17F2NO3/c1-9(2)7-13(18)17(6-5-14(19)20)10-3-4-11(15)12(16)8-10/h3-4,8-9H,5-7H2,1-2H3,(H,19,20)/p-1