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

Systemtic Name: (4-heptylphenyl) 4-[(E)-2-cyano-2-fluoranyl-ethenyl]cyclohexane-1-carboxylate Openeye Name: (4-heptylphenyl) 4-[(E)-2-cyano-2-fluoro-vinyl]cyclohexanecarboxylate CAS Name: 4-[(E)-2-cyano-2-fluoroethenyl]-1-cyclohexanecarboxylic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 4-[(E)-2-cyano-2-fluoroethenyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-2-cyano-2-fluoro-vinyl]cyclohexanecarboxylic acid (4-heptylphenyl) ester Formula: C23H30FNO2 MolecularWeight: 371.488203

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C=C(C#N)F

Isomeric SMILES

CCCCCCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)/C=C(\C#N)/F

InChI

InChI=1S/C23H30FNO2/c1-2-3-4-5-6-7-18-10-14-22(15-11-18)27-23(26)20-12-8-19(9-13-20)16-21(24)17-25/h10-11,14-16,19-20H,2-9,12-13H2,1H3/b21-16+