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

Systemtic Name: (4-pentylcyclohexyl) 4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexane-1-carboxylate Openeye Name: (4-pentylcyclohexyl) 4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexanecarboxylate CAS Name: 4-[(E)-4-cyano-4-fluorobut-3-enyl]-1-cyclohexanecarboxylic acid (4-pentylcyclohexyl) ester IUPAC Name: (4-pentylcyclohexyl) 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-amylcyclohexyl) ester Formula: C23H36FNO2 MolecularWeight: 377.535843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H36FNO2/c1-2-3-4-6-18-11-15-22(16-12-18)27-23(26)20-13-9-19(10-14-20)7-5-8-21(24)17-25/h8,18-20,22H,2-7,9-16H2,1H3/b21-8+