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

Systemtic Name: [4-[(E)-2-cyano-2-fluoranyl-ethenyl]cyclohexyl] 4-(4-butylphenyl)cyclohexane-1-carboxylate Openeye Name: [4-[(E)-2-cyano-2-fluoro-vinyl]cyclohexyl] 4-(4-butylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-butylphenyl)-1-cyclohexanecarboxylic acid [4-[(E)-2-cyano-2-fluoroethenyl]cyclohexyl] ester IUPAC Name: [4-[(E)-2-cyano-2-fluoroethenyl]cyclohexyl] 4-(4-butylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-butylphenyl)cyclohexanecarboxylic acid [4-[(E)-2-cyano-2-fluoro-vinyl]cyclohexyl] ester Formula: C26H34FNO2 MolecularWeight: 411.552063

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)C=C(C#N)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)/C=C(\C#N)/F

InChI

InChI=1S/C26H34FNO2/c1-2-3-4-19-5-9-21(10-6-19)22-11-13-23(14-12-22)26(29)30-25-15-7-20(8-16-25)17-24(27)18-28/h5-6,9-10,17,20,22-23,25H,2-4,7-8,11-16H2,1H3/b24-17+