[4-(4-pentylphenyl)cyclohexyl] 4-[(E)-2-cyano-2-fluoranyl-ethenyl]cyclohexane-1-carboxylate

Systemtic Name: [4-(4-pentylphenyl)cyclohexyl] 4-[(E)-2-cyano-2-fluoranyl-ethenyl]cyclohexane-1-carboxylate Openeye Name: [4-(4-pentylphenyl)cyclohexyl] 4-[(E)-2-cyano-2-fluoro-vinyl]cyclohexanecarboxylate CAS Name: 4-[(E)-2-cyano-2-fluoroethenyl]-1-cyclohexanecarboxylic acid [4-(4-pentylphenyl)cyclohexyl] ester IUPAC Name: [4-(4-pentylphenyl)cyclohexyl] 4-[(E)-2-cyano-2-fluoroethenyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-2-cyano-2-fluoro-vinyl]cyclohexanecarboxylic acid [4-(4-amylphenyl)cyclohexyl] ester Formula: C27H36FNO2 MolecularWeight: 425.578643

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=CC=C(C=C1)C2CCC(CC2)OC(=O)C3CCC(CC3)C=C(C#N)F

Isomeric SMILES

CCCCCC1=CC=C(C=C1)C2CCC(CC2)OC(=O)C3CCC(CC3)/C=C(\C#N)/F

InChI

InChI=1S/C27H36FNO2/c1-2-3-4-5-20-6-10-22(11-7-20)23-14-16-26(17-15-23)31-27(30)24-12-8-21(9-13-24)18-25(28)19-29/h6-7,10-11,18,21,23-24,26H,2-5,8-9,12-17H2,1H3/b25-18+