4-[2-cyano-2-[4-(trifluoromethyloxy)phenyl]ethyl]benzoic acid

Systemtic Name: 4-[2-cyano-2-[4-(trifluoromethyloxy)phenyl]ethyl]benzoic acid Openeye Name: 4-[2-cyano-2-[4-(trifluoromethoxy)phenyl]ethyl]benzoic acid CAS Name: 4-[2-cyano-2-[4-(trifluoromethoxy)phenyl]ethyl]benzoic acid IUPAC Name: 4-[2-cyano-2-[4-(trifluoromethoxy)phenyl]ethyl]benzoic acid Traditional Name: 4-[2-cyano-2-[4-(trifluoromethoxy)phenyl]ethyl]benzoic acid Formula: C17H12F3NO3 MolecularWeight: 335.27729

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(C#N)C2=CC=C(C=C2)OC(F)(F)F)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CC(C#N)C2=CC=C(C=C2)OC(F)(F)F)C(=O)O

InChI

InChI=1S/C17H12F3NO3/c18-17(19,20)24-15-7-5-12(6-8-15)14(10-21)9-11-1-3-13(4-2-11)16(22)23/h1-8,14H,9H2,(H,22,23)