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

Systemtic Name: [4-(4-hexylphenyl)cyclohexyl] 4-[(E)-2-cyano-2-fluoranyl-ethenyl]cyclohexane-1-carboxylate Openeye Name: [4-(4-hexylphenyl)cyclohexyl] 4-[(E)-2-cyano-2-fluoro-vinyl]cyclohexanecarboxylate CAS Name: 4-[(E)-2-cyano-2-fluoroethenyl]-1-cyclohexanecarboxylic acid [4-(4-hexylphenyl)cyclohexyl] ester IUPAC Name: [4-(4-hexylphenyl)cyclohexyl] 4-[(E)-2-cyano-2-fluoroethenyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-2-cyano-2-fluoro-vinyl]cyclohexanecarboxylic acid [4-(4-hexylphenyl)cyclohexyl] ester Formula: C28H38FNO2 MolecularWeight: 439.605223

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2CCC(CC2)OC(=O)C3CCC(CC3)C=C(C#N)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2CCC(CC2)OC(=O)C3CCC(CC3)/C=C(\C#N)/F

InChI

InChI=1S/C28H38FNO2/c1-2-3-4-5-6-21-7-11-23(12-8-21)24-15-17-27(18-16-24)32-28(31)25-13-9-22(10-14-25)19-26(29)20-30/h7-8,11-12,19,22,24-25,27H,2-6,9-10,13-18H2,1H3/b26-19+