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

Systemtic Name: (4-pentylphenyl) 4-[(E)-2-cyano-2-fluoranyl-ethenyl]cyclohexane-1-carboxylate Openeye Name: (4-pentylphenyl) 4-[(E)-2-cyano-2-fluoro-vinyl]cyclohexanecarboxylate CAS Name: 4-[(E)-2-cyano-2-fluoroethenyl]-1-cyclohexanecarboxylic acid (4-pentylphenyl) ester IUPAC Name: (4-pentylphenyl) 4-[(E)-2-cyano-2-fluoroethenyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-2-cyano-2-fluoro-vinyl]cyclohexanecarboxylic acid (4-amylphenyl) ester Formula: C21H26FNO2 MolecularWeight: 343.435043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FNO2/c1-2-3-4-5-16-8-12-20(13-9-16)25-21(24)18-10-6-17(7-11-18)14-19(22)15-23/h8-9,12-14,17-18H,2-7,10-11H2,1H3/b19-14+