[4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-(4-fluorophenyl)cyclohexane-1-carboxylate

Systemtic Name: [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-(4-fluorophenyl)cyclohexane-1-carboxylate Openeye Name: [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-(4-fluorophenyl)cyclohexanecarboxylate CAS Name: 4-(4-fluorophenyl)-1-cyclohexanecarboxylic acid [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] ester IUPAC Name: [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] 4-(4-fluorophenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-fluorophenyl)cyclohexanecarboxylic acid [4-[(E)-4-cyanobut-3-enyl]cyclohexyl] ester Formula: C24H30FNO2 MolecularWeight: 383.498903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30FNO2/c25-22-13-11-20(12-14-22)19-7-9-21(10-8-19)24(27)28-23-15-5-18(6-16-23)4-2-1-3-17-26/h1,3,11-14,18-19,21,23H,2,4-10,15-16H2/b3-1+