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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)C2CCC(CC2)OC(=O)C3CCC(CC3)C=C(C#N)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)C2CCC(CC2)OC(=O)C3CCC(CC3)/C=C(\C#N)/F

InChI

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