(4-pentylcyclohexyl) 4-[(E)-2-cyano-2-fluoranyl-ethenyl]cyclohexane-1-carboxylate

Systemtic Name: (4-pentylcyclohexyl) 4-[(E)-2-cyano-2-fluoranyl-ethenyl]cyclohexane-1-carboxylate Openeye Name: (4-pentylcyclohexyl) 4-[(E)-2-cyano-2-fluoro-vinyl]cyclohexanecarboxylate CAS Name: 4-[(E)-2-cyano-2-fluoroethenyl]-1-cyclohexanecarboxylic acid (4-pentylcyclohexyl) ester IUPAC Name: (4-pentylcyclohexyl) 4-[(E)-2-cyano-2-fluoroethenyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-2-cyano-2-fluoro-vinyl]cyclohexanecarboxylic acid (4-amylcyclohexyl) ester Formula: C21H32FNO2 MolecularWeight: 349.482683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)OC(=O)C2CCC(CC2)C=C(C#N)F

Isomeric SMILES

CCCCCC1CCC(CC1)OC(=O)C2CCC(CC2)/C=C(\C#N)/F

InChI

InChI=1S/C21H32FNO2/c1-2-3-4-5-16-8-12-20(13-9-16)25-21(24)18-10-6-17(7-11-18)14-19(22)15-23/h14,16-18,20H,2-13H2,1H3/b19-14+