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

Systemtic Name: [4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexyl] 4-(4-fluorophenyl)cyclohexane-1-carboxylate Openeye Name: [4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexyl] 4-(4-fluorophenyl)cyclohexanecarboxylate CAS Name: 4-(4-fluorophenyl)-1-cyclohexanecarboxylic acid [4-[(E)-4-cyano-4-fluorobut-3-enyl]cyclohexyl] ester IUPAC Name: [4-[(E)-4-cyano-4-fluorobut-3-enyl]cyclohexyl] 4-(4-fluorophenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-fluorophenyl)cyclohexanecarboxylic acid [4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexyl] ester Formula: C24H29F2NO2 MolecularWeight: 401.489366

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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