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

Systemtic Name: [4-(4-cyano-3-fluoranyl-phenyl)cyclohexyl] 4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexane-1-carboxylate Openeye Name: [4-(4-cyano-3-fluoro-phenyl)cyclohexyl] 4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexanecarboxylate CAS Name: 4-[(E)-4-cyano-4-fluorobut-3-enyl]-1-cyclohexanecarboxylic acid [4-(4-cyano-3-fluorophenyl)cyclohexyl] ester IUPAC Name: [4-(4-cyano-3-fluorophenyl)cyclohexyl] 4-[(E)-4-cyano-4-fluorobut-3-enyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexanecarboxylic acid [4-(4-cyano-3-fluoro-phenyl)cyclohexyl] ester Formula: C25H28F2N2O2 MolecularWeight: 426.498826

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28F2N2O2/c26-22(16-29)3-1-2-17-4-6-19(7-5-17)25(30)31-23-12-10-18(11-13-23)20-8-9-21(15-28)24(27)14-20/h3,8-9,14,17-19,23H,1-2,4-7,10-13H2/b22-3+