2-[3-cyano-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine-3-carboxylic acid

Systemtic Name: 2-[3-cyano-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine-3-carboxylic acid Openeye Name: 2-[3-cyano-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine-3-carboxylic acid CAS Name: 2-[3-cyano-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]-3-pyridinecarboxylic acid IUPAC Name: 2-[3-cyano-4-[[4-(trifluoromethyl)phenyl]methoxy]phenyl]pyridine-3-carboxylic acid Traditional Name: 2-[3-cyano-4-[4-(trifluoromethyl)benzyl]oxy-phenyl]nicotinic acid Formula: C21H13F3N2O3 MolecularWeight: 398.33473

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(N=C1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(F)(F)F)C#N)C(=O)O

Isomeric SMILES

C1=CC(=C(N=C1)C2=CC(=C(C=C2)OCC3=CC=C(C=C3)C(F)(F)F)C#N)C(=O)O

InChI

InChI=1S/C21H13F3N2O3/c22-21(23,24)16-6-3-13(4-7-16)12-29-18-8-5-14(10-15(18)11-25)19-17(20(27)28)2-1-9-26-19/h1-10H,12H2,(H,27,28)