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

Systemtic Name: (4-propylcyclohexyl) 4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexane-1-carboxylate Openeye Name: (4-propylcyclohexyl) 4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexanecarboxylate CAS Name: 4-[(E)-4-cyano-4-fluorobut-3-enyl]-1-cyclohexanecarboxylic acid (4-propylcyclohexyl) ester IUPAC Name: (4-propylcyclohexyl) 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-propylcyclohexyl) ester Formula: C21H32FNO2 MolecularWeight: 349.482683

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)OC(=O)C2CCC(CC2)CCC=C(C#N)F

Isomeric SMILES

CCCC1CCC(CC1)OC(=O)C2CCC(CC2)CC/C=C(\C#N)/F

InChI

InChI=1S/C21H32FNO2/c1-2-4-16-9-13-20(14-10-16)25-21(24)18-11-7-17(8-12-18)5-3-6-19(22)15-23/h6,16-18,20H,2-5,7-14H2,1H3/b19-6+