3-[(4-fluorophenyl)-(2-methylpropanoyl)amino]propanoate

Systemtic Name: 3-[(4-fluorophenyl)-(2-methylpropanoyl)amino]propanoate Openeye Name: 3-[4-fluoro-N-(2-methylpropanoyl)anilino]propanoate CAS Name: 3-(4-fluoro-N-(2-methyl-1-oxopropyl)anilino)propanoate IUPAC Name: 3-[4-fluoro-N-(2-methylpropanoyl)anilino]propanoate Traditional Name: 3-(4-fluoro-N-isobutyryl-anilino)propionate Formula: C13H15FNO3- MolecularWeight: 252.261503

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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