[4-(3-fluoranyl-5-octoxy-pyridin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [4-(3-fluoranyl-5-octoxy-pyridin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-(3-fluoro-5-octoxy-2-pyridyl)phenyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-(3-fluoro-5-octoxy-2-pyridinyl)phenyl] ester IUPAC Name: [4-(3-fluoro-5-octoxypyridin-2-yl)phenyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-(3-fluoro-5-octoxy-2-pyridyl)phenyl] ester Formula: C31H44FNO3 MolecularWeight: 497.684363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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