(phenylmethyl) 2-acetamido-4-fluoranyl-butanoate

Systemtic Name: (phenylmethyl) 2-acetamido-4-fluoranyl-butanoate Openeye Name: benzyl 2-acetamido-4-fluoro-butanoate CAS Name: 2-acetamido-4-fluorobutanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-acetamido-4-fluorobutanoate Traditional Name: 2-acetamido-4-fluoro-butyric acid benzyl ester Formula: C13H16FNO3 MolecularWeight: 253.269443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CCF)C(=O)OCC1=CC=CC=C1

Isomeric SMILES

CC(=O)NC(CCF)C(=O)OCC1=CC=CC=C1

InChI

InChI=1S/C13H16FNO3/c1-10(16)15-12(7-8-14)13(17)18-9-11-5-3-2-4-6-11/h2-6,12H,7-9H2,1H3,(H,15,16)