(4-pentylphenyl) 4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexane-1-carboxylate

Systemtic Name: (4-pentylphenyl) 4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexane-1-carboxylate Openeye Name: (4-pentylphenyl) 4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexanecarboxylate CAS Name: 4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]-1-cyclohexanecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]cyclohexane-1-carboxylate Traditional Name: 4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexanecarboxylic acid (4-amylphenyl) ester Formula: C25H32FNO2 MolecularWeight: 397.525483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CCC=CC=C(C#N)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)CC/C=C/C=C(\C#N)/F

InChI

InChI=1S/C25H32FNO2/c1-2-3-5-8-21-13-17-24(18-14-21)29-25(28)22-15-11-20(12-16-22)9-6-4-7-10-23(26)19-27/h4,7,10,13-14,17-18,20,22H,2-3,5-6,8-9,11-12,15-16H2,1H3/b7-4+,23-10+