(4-hexylcyclohexyl) 4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexane-1-carboxylate

Systemtic Name: (4-hexylcyclohexyl) 4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexane-1-carboxylate Openeye Name: (4-hexylcyclohexyl) 4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexanecarboxylate CAS Name: 4-[(E)-4-cyano-4-fluorobut-3-enyl]-1-cyclohexanecarboxylic acid (4-hexylcyclohexyl) ester IUPAC Name: (4-hexylcyclohexyl) 4-[(E)-4-cyano-4-fluorobut-3-enyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexanecarboxylic acid (4-hexylcyclohexyl) ester Formula: C24H38FNO2 MolecularWeight: 391.562423

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)OC(=O)C2CCC(CC2)CCC=C(C#N)F

Isomeric SMILES

CCCCCCC1CCC(CC1)OC(=O)C2CCC(CC2)CC/C=C(\C#N)/F

InChI

InChI=1S/C24H38FNO2/c1-2-3-4-5-7-19-12-16-23(17-13-19)28-24(27)21-14-10-20(11-15-21)8-6-9-22(25)18-26/h9,19-21,23H,2-8,10-17H2,1H3/b22-9+