[4-[(3E)-2-cyano-2-fluoranyl-hexa-3,5-dienyl]cyclohexyl] 4-ethylbenzoate

Systemtic Name: [4-[(3E)-2-cyano-2-fluoranyl-hexa-3,5-dienyl]cyclohexyl] 4-ethylbenzoate Openeye Name: [4-[(3E)-2-cyano-2-fluoro-hexa-3,5-dienyl]cyclohexyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [4-[(3E)-2-cyano-2-fluorohexa-3,5-dienyl]cyclohexyl] ester IUPAC Name: [4-[(3E)-2-cyano-2-fluorohexa-3,5-dienyl]cyclohexyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [4-[(3E)-2-cyano-2-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)CC(C=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/c1-3-5-14-22(23,16-24)15-18-8-12-20(13-9-18)26-21(25)19-10-6-17(4-2)7-11-19/h3,5-7,10-11,14,18,20H,1,4,8-9,12-13,15H2,2H3/b14-5+