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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21FN2O2/c22-20-14-19(12-11-18(20)15-24)26-21(25)17-9-7-16(8-10-17)6-4-2-1-3-5-13-23/h1-3,5,11-12,14,16-17H,4,6-10H2/b2-1+,5-3+