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

Systemtic Name: [4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexyl] 4-(4-pentylphenyl)cyclohexane-1-carboxylate Openeye Name: [4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexyl] 4-(4-pentylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-pentylphenyl)-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-pentylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-amylphenyl)cyclohexanecarboxylic acid [4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexyl] ester Formula: C29H40FNO2 MolecularWeight: 453.631803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)CCC=C(C#N)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)CC/C=C(\C#N)/F

InChI

InChI=1S/C29H40FNO2/c1-2-3-4-6-22-9-13-24(14-10-22)25-15-17-26(18-16-25)29(32)33-28-19-11-23(12-20-28)7-5-8-27(30)21-31/h8-10,13-14,23,25-26,28H,2-7,11-12,15-20H2,1H3/b27-8+