[4-(6-fluoranyl-5-octoxy-pyridin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [4-(6-fluoranyl-5-octoxy-pyridin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-(6-fluoro-5-octoxy-2-pyridyl)phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-(6-fluoro-5-octoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(6-fluoro-5-octoxypyridin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-(6-fluoro-5-octoxy-2-pyridyl)phenyl] ester Formula: C31H44FNO3 MolecularWeight: 497.684363

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(N=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCC)F

Isomeric SMILES

CCCCCCCCOC1=C(N=C(C=C1)C2=CC=C(C=C2)OC(=O)C3CCC(CC3)CCCCC)F

InChI

InChI=1S/C31H44FNO3/c1-3-5-7-8-9-11-23-35-29-22-21-28(33-30(29)32)25-17-19-27(20-18-25)36-31(34)26-15-13-24(14-16-26)12-10-6-4-2/h17-22,24,26H,3-16,23H2,1-2H3