2-[(2-acetamido-3-methyl-butanoyl)amino]-5-fluoranyl-benzoic acid

Systemtic Name: 2-[(2-acetamido-3-methyl-butanoyl)amino]-5-fluoranyl-benzoic acid Openeye Name: 2-[(2-acetamido-3-methyl-butanoyl)amino]-5-fluoro-benzoic acid CAS Name: 2-[(2-acetamido-3-methyl-1-oxobutyl)amino]-5-fluorobenzoic acid IUPAC Name: 2-[(2-acetamido-3-methylbutanoyl)amino]-5-fluorobenzoic acid Traditional Name: 2-[(2-acetamido-3-methyl-butanoyl)amino]-5-fluoro-benzoic acid Formula: C14H17FN2O4 MolecularWeight: 296.294183

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=C(C=C(C=C1)F)C(=O)O)NC(=O)C

Isomeric SMILES

CC(C)C(C(=O)NC1=C(C=C(C=C1)F)C(=O)O)NC(=O)C

InChI

InChI=1S/C14H17FN2O4/c1-7(2)12(16-8(3)18)13(19)17-11-5-4-9(15)6-10(11)14(20)21/h4-7,12H,1-3H3,(H,16,18)(H,17,19)(H,20,21)