(4-cyanophenyl) 4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexane-1-carboxylate

Systemtic Name: (4-cyanophenyl) 4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexane-1-carboxylate Openeye Name: (4-cyanophenyl) 4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexanecarboxylate CAS Name: 4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]-1-cyclohexanecarboxylic acid (4-cyanophenyl) ester IUPAC Name: (4-cyanophenyl) 4-[(3E,5E)-6-cyano-6-fluorohexa-3,5-dienyl]cyclohexane-1-carboxylate Traditional Name: 4-[(3E,5E)-6-cyano-6-fluoro-hexa-3,5-dienyl]cyclohexanecarboxylic acid (4-cyanophenyl) ester Formula: C21H21FN2O2 MolecularWeight: 352.402043

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCC=CC=C(C#N)F)C(=O)OC2=CC=C(C=C2)C#N

Isomeric SMILES

C1CC(CCC1CC/C=C/C=C(\C#N)/F)C(=O)OC2=CC=C(C=C2)C#N

InChI

InChI=1S/C21H21FN2O2/c22-19(15-24)5-3-1-2-4-16-6-10-18(11-7-16)21(25)26-20-12-8-17(14-23)9-13-20/h1,3,5,8-9,12-13,16,18H,2,4,6-7,10-11H2/b3-1+,19-5+