[4-(4-cyano-3-fluoranyl-phenyl)cyclohexyl] 4-[(E)-4-cyanobut-3-enyl]cyclohexane-1-carboxylate

Systemtic Name: [4-(4-cyano-3-fluoranyl-phenyl)cyclohexyl] 4-[(E)-4-cyanobut-3-enyl]cyclohexane-1-carboxylate Openeye Name: [4-(4-cyano-3-fluoro-phenyl)cyclohexyl] 4-[(E)-4-cyanobut-3-enyl]cyclohexanecarboxylate CAS Name: 4-[(E)-4-cyanobut-3-enyl]-1-cyclohexanecarboxylic acid [4-(4-cyano-3-fluorophenyl)cyclohexyl] ester IUPAC Name: [4-(4-cyano-3-fluorophenyl)cyclohexyl] 4-[(E)-4-cyanobut-3-enyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-4-cyanobut-3-enyl]cyclohexanecarboxylic acid [4-(4-cyano-3-fluoro-phenyl)cyclohexyl] ester Formula: C25H29FN2O2 MolecularWeight: 408.508363

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCC=CC#N)C(=O)OC2CCC(CC2)C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

C1CC(CCC1CC/C=C/C#N)C(=O)OC2CCC(CC2)C3=CC(=C(C=C3)C#N)F

InChI

InChI=1S/C25H29FN2O2/c26-24-16-21(9-10-22(24)17-28)19-11-13-23(14-12-19)30-25(29)20-7-5-18(6-8-20)4-2-1-3-15-27/h1,3,9-10,16,18-20,23H,2,4-8,11-14H2/b3-1+