[4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-fluoranylbenzoate

Systemtic Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-fluoranylbenzoate Openeye Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic acid [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] ester IUPAC Name: [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] 4-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(3E,5E)-6-cyanohexa-3,5-dienyl]cyclohexyl] ester Formula: C20H22FNO2 MolecularWeight: 327.392583

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCC=CC=CC#N)OC(=O)C2=CC=C(C=C2)F

Isomeric SMILES

C1CC(CCC1CC/C=C/C=C/C#N)OC(=O)C2=CC=C(C=C2)F

InChI

InChI=1S/C20H22FNO2/c21-18-11-9-17(10-12-18)20(23)24-19-13-7-16(8-14-19)6-4-2-1-3-5-15-22/h1-3,5,9-12,16,19H,4,6-8,13-14H2/b2-1+,5-3+