2,2-bis(fluoranyl)-3-(2-phenylethanoylamino)octanoic acid

Systemtic Name: 2,2-bis(fluoranyl)-3-(2-phenylethanoylamino)octanoic acid Openeye Name: 2,2-difluoro-3-[(2-phenylacetyl)amino]octanoic acid CAS Name: 2,2-difluoro-3-[(1-oxo-2-phenylethyl)amino]octanoic acid IUPAC Name: 2,2-difluoro-3-[(2-phenylacetyl)amino]octanoic acid Traditional Name: 2,2-difluoro-3-[(2-phenylacetyl)amino]caprylic acid Formula: C16H21F2NO3 MolecularWeight: 313.339646

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(C(=O)O)(F)F)NC(=O)CC1=CC=CC=C1

Isomeric SMILES

CCCCCC(C(C(=O)O)(F)F)NC(=O)CC1=CC=CC=C1

InChI

InChI=1S/C16H21F2NO3/c1-2-3-5-10-13(16(17,18)15(21)22)19-14(20)11-12-8-6-4-7-9-12/h4,6-9,13H,2-3,5,10-11H2,1H3,(H,19,20)(H,21,22)