[6-[2-(4-fluorophenyl)ethyl]pyridin-3-yl] 4-heptylcyclohexane-1-carboxylate

Systemtic Name: [6-[2-(4-fluorophenyl)ethyl]pyridin-3-yl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [6-[2-(4-fluorophenyl)ethyl]-3-pyridyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [6-[2-(4-fluorophenyl)ethyl]-3-pyridinyl] ester IUPAC Name: [6-[2-(4-fluorophenyl)ethyl]pyridin-3-yl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [6-[2-(4-fluorophenyl)ethyl]-3-pyridyl] ester Formula: C27H36FNO2 MolecularWeight: 425.578643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)F

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(=O)OC2=CN=C(C=C2)CCC3=CC=C(C=C3)F

InChI

InChI=1S/C27H36FNO2/c1-2-3-4-5-6-7-21-8-13-23(14-9-21)27(30)31-26-19-18-25(29-20-26)17-12-22-10-15-24(28)16-11-22/h10-11,15-16,18-21,23H,2-9,12-14,17H2,1H3