3-(4-cyano-3-fluoranyl-phenyl)-2-(4-pentylcyclohexyl)benzoic acid

Systemtic Name: 3-(4-cyano-3-fluoranyl-phenyl)-2-(4-pentylcyclohexyl)benzoic acid Openeye Name: 3-(4-cyano-3-fluoro-phenyl)-2-(4-pentylcyclohexyl)benzoic acid CAS Name: 3-(4-cyano-3-fluorophenyl)-2-(4-pentylcyclohexyl)benzoic acid IUPAC Name: 3-(4-cyano-3-fluorophenyl)-2-(4-pentylcyclohexyl)benzoic acid Traditional Name: 2-(4-amylcyclohexyl)-3-(4-cyano-3-fluoro-phenyl)benzoic acid Formula: C25H28FNO2 MolecularWeight: 393.493723

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2=C(C=CC=C2C(=O)O)C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

CCCCCC1CCC(CC1)C2=C(C=CC=C2C(=O)O)C3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C25H28FNO2/c1-2-3-4-6-17-9-11-18(12-10-17)24-21(7-5-8-22(24)25(28)29)19-13-14-20(16-27)23(26)15-19/h5,7-8,13-15,17-18H,2-4,6,9-12H2,1H3,(H,28,29)