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

Systemtic Name: [4-(4-fluorophenyl)cyclohexyl] 4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexane-1-carboxylate Openeye Name: [4-(4-fluorophenyl)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-fluorophenyl)cyclohexyl] ester IUPAC Name: [4-(4-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-fluorophenyl)cyclohexyl] ester Formula: C24H29F2NO2 MolecularWeight: 401.489366

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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)F

Isomeric SMILES

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

InChI

InChI=1S/C24H29F2NO2/c25-21-12-8-18(9-13-21)19-10-14-23(15-11-19)29-24(28)20-6-4-17(5-7-20)2-1-3-22(26)16-27/h3,8-9,12-13,17,19-20,23H,1-2,4-7,10-11,14-15H2/b22-3+