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

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 4-[(3E,5E)-6-cyano-6-fluoranyl-hexa-3,5-dienyl]cyclohexane-1-carboxylate Openeye Name: (4-cyano-3-fluoro-phenyl) 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-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 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-cyano-3-fluoro-phenyl) ester Formula: C21H20F2N2O2 MolecularWeight: 370.392506

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C21H20F2N2O2/c22-18(14-25)5-3-1-2-4-15-6-8-16(9-7-15)21(26)27-19-11-10-17(13-24)20(23)12-19/h1,3,5,10-12,15-16H,2,4,6-9H2/b3-1+,18-5+