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

Systemtic Name: [4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexyl] 4-ethylbenzoate Openeye Name: [4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic 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-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexyl] ester Formula: C22H26FNO2 MolecularWeight: 355.445743

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CCC=CC=C(C#N)F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CC/C=C/C=C(\C#N)/F

InChI

InChI=1S/C22H26FNO2/c1-2-17-8-12-19(13-9-17)22(25)26-21-14-10-18(11-15-21)6-4-3-5-7-20(23)16-24/h3,5,7-9,12-13,18,21H,2,4,6,10-11,14-15H2,1H3/b5-3+,20-7+