6-oxidanylidene-6-[[2-(trifluoromethyl)phenyl]amino]hexanoic acid

Systemtic Name: 6-oxidanylidene-6-[[2-(trifluoromethyl)phenyl]amino]hexanoic acid Openeye Name: 6-oxo-6-[2-(trifluoromethyl)anilino]hexanoic acid CAS Name: 6-oxo-6-[2-(trifluoromethyl)anilino]hexanoic acid IUPAC Name: 6-oxo-6-[2-(trifluoromethyl)anilino]hexanoic acid Traditional Name: 6-keto-6-[2-(trifluoromethyl)anilino]hexanoic acid Formula: C13H14F3NO3 MolecularWeight: 289.25037

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14F3NO3/c14-13(15,16)9-5-1-2-6-10(9)17-11(18)7-3-4-8-12(19)20/h1-2,5-6H,3-4,7-8H2,(H,17,18)(H,19,20)