2-[(3-fluorophenyl)-(3-methylbutanoyl)amino]ethanoate

Systemtic Name: 2-[(3-fluorophenyl)-(3-methylbutanoyl)amino]ethanoate Openeye Name: 2-[3-fluoro-N-(3-methylbutanoyl)anilino]acetate CAS Name: 2-(3-fluoro-N-(3-methyl-1-oxobutyl)anilino)acetate IUPAC Name: 2-[3-fluoro-N-(3-methylbutanoyl)anilino]acetate Traditional Name: 2-(3-fluoro-N-isovaleryl-anilino)acetate Formula: C13H15FNO3- MolecularWeight: 252.261503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16FNO3/c1-9(2)6-12(16)15(8-13(17)18)11-5-3-4-10(14)7-11/h3-5,7,9H,6,8H2,1-2H3,(H,17,18)/p-1