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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CCC1CCC=CC#N)OC(=O)C2CCC(CC2)C3=CC(=C(C=C3)C#N)F

Isomeric SMILES

C1CC(CCC1CC/C=C/C#N)OC(=O)C2CCC(CC2)C3=CC(=C(C=C3)C#N)F

InChI

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