[4-[(E)-2-cyano-2-fluoranyl-ethenyl]cyclohexyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [4-[(E)-2-cyano-2-fluoranyl-ethenyl]cyclohexyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-[(E)-2-cyano-2-fluoro-vinyl]cyclohexyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-[(E)-2-cyano-2-fluoroethenyl]cyclohexyl] ester IUPAC Name: [4-[(E)-2-cyano-2-fluoroethenyl]cyclohexyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-[(E)-2-cyano-2-fluoro-vinyl]cyclohexyl] ester Formula: C21H32FNO2 MolecularWeight: 349.482683

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)OC2CCC(CC2)C=C(C#N)F

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)OC2CCC(CC2)/C=C(\C#N)/F

InChI

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