3-[(3-fluorophenyl)-(2-methylpropanoyl)amino]propanoate

Systemtic Name: 3-[(3-fluorophenyl)-(2-methylpropanoyl)amino]propanoate Openeye Name: 3-[3-fluoro-N-(2-methylpropanoyl)anilino]propanoate CAS Name: 3-(3-fluoro-N-(2-methyl-1-oxopropyl)anilino)propanoate IUPAC Name: 3-[3-fluoro-N-(2-methylpropanoyl)anilino]propanoate Traditional Name: 3-(3-fluoro-N-isobutyryl-anilino)propionate Formula: C13H15FNO3- MolecularWeight: 252.261503

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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