[4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexyl] 4-pentylbenzoate

Systemtic Name: [4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexyl] 4-pentylbenzoate Openeye Name: [4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexyl] 4-pentylbenzoate CAS Name: 4-pentylbenzoic acid [4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]cyclohexyl] ester IUPAC Name: [4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]cyclohexyl] 4-pentylbenzoate Traditional Name: 4-amylbenzoic acid [4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexyl] ester Formula: C25H32FNO2 MolecularWeight: 397.525483

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CCC=CC=C(C#N)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CC/C=C/C=C(\C#N)/F

InChI

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