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

Systemtic Name: [4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexyl] 4-fluoranylbenzoate Openeye Name: [4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexyl] 4-fluorobenzoate CAS Name: 4-fluorobenzoic 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-fluorobenzoate Traditional Name: 4-fluorobenzoic acid [4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexyl] ester Formula: C20H21F2NO2 MolecularWeight: 345.383046

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21F2NO2/c21-17-10-8-16(9-11-17)20(24)25-19-12-6-15(7-13-19)4-2-1-3-5-18(22)14-23/h1,3,5,8-11,15,19H,2,4,6-7,12-13H2/b3-1+,18-5+