[4-[(1E,3E)-4-cyano-4-fluoranyl-buta-1,3-dienyl]cyclohexyl] 4-hexylcyclohexane-1-carboxylate

Systemtic Name: [4-[(1E,3E)-4-cyano-4-fluoranyl-buta-1,3-dienyl]cyclohexyl] 4-hexylcyclohexane-1-carboxylate Openeye Name: [4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexyl] 4-hexylcyclohexanecarboxylate CAS Name: 4-hexyl-1-cyclohexanecarboxylic acid [4-[(1E,3E)-4-cyano-4-fluorobuta-1,3-dienyl]cyclohexyl] ester IUPAC Name: [4-[(1E,3E)-4-cyano-4-fluorobuta-1,3-dienyl]cyclohexyl] 4-hexylcyclohexane-1-carboxylate Traditional Name: 4-hexylcyclohexanecarboxylic acid [4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexyl] ester Formula: C24H36FNO2 MolecularWeight: 389.546543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)C(=O)OC2CCC(CC2)C=CC=C(C#N)F

Isomeric SMILES

CCCCCCC1CCC(CC1)C(=O)OC2CCC(CC2)/C=C/C=C(\C#N)/F

InChI

InChI=1S/C24H36FNO2/c1-2-3-4-5-7-19-10-14-21(15-11-19)24(27)28-23-16-12-20(13-17-23)8-6-9-22(25)18-26/h6,8-9,19-21,23H,2-5,7,10-17H2,1H3/b8-6+,22-9+