[4-[(1E,3E)-4-cyano-4-fluoranyl-buta-1,3-dienyl]cyclohexyl] 4-propylcyclohexane-1-carboxylate

Systemtic Name: [4-[(1E,3E)-4-cyano-4-fluoranyl-buta-1,3-dienyl]cyclohexyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [4-[(1E,3E)-4-cyano-4-fluorobuta-1,3-dienyl]cyclohexyl] ester IUPAC Name: [4-[(1E,3E)-4-cyano-4-fluorobuta-1,3-dienyl]cyclohexyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexyl] ester Formula: C21H30FNO2 MolecularWeight: 347.466803

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C(=O)OC2CCC(CC2)C=CC=C(C#N)F

Isomeric SMILES

CCCC1CCC(CC1)C(=O)OC2CCC(CC2)/C=C/C=C(\C#N)/F

InChI

InChI=1S/C21H30FNO2/c1-2-4-16-7-11-18(12-8-16)21(24)25-20-13-9-17(10-14-20)5-3-6-19(22)15-23/h3,5-6,16-18,20H,2,4,7-14H2,1H3/b5-3+,19-6+