(4-cyano-3-fluoranyl-phenyl) 2-fluoranyl-4-[(E)-2-(4-icosylcyclohexyl)ethenyl]benzoate

Systemtic Name: (4-cyano-3-fluoranyl-phenyl) 2-fluoranyl-4-[(E)-2-(4-icosylcyclohexyl)ethenyl]benzoate Openeye Name: (4-cyano-3-fluoro-phenyl) 2-fluoro-4-[(E)-2-(4-icosylcyclohexyl)vinyl]benzoate CAS Name: 4-[(E)-2-(4-eicosylcyclohexyl)ethenyl]-2-fluorobenzoic acid (4-cyano-3-fluorophenyl) ester IUPAC Name: (4-cyano-3-fluorophenyl) 2-fluoro-4-[(E)-2-(4-icosylcyclohexyl)ethenyl]benzoate Traditional Name: 4-[(E)-2-(4-arachylcyclohexyl)vinyl]-2-fluoro-benzoic acid (4-cyano-3-fluoro-phenyl) ester Formula: C42H59F2NO2 MolecularWeight: 647.920166

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCCCC1CCC(CC1)C=CC2=CC(=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F)F

Isomeric SMILES

CCCCCCCCCCCCCCCCCCCCC1CCC(CC1)/C=C/C2=CC(=C(C=C2)C(=O)OC3=CC(=C(C=C3)C#N)F)F

InChI

InChI=1S/C42H59F2NO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-34-21-23-35(24-22-34)25-26-36-27-30-39(41(44)31-36)42(46)47-38-29-28-37(33-45)40(43)32-38/h25-32,34-35H,2-24H2,1H3/b26-25+