(4-heptylphenyl) 4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexane-1-carboxylate

Systemtic Name: (4-heptylphenyl) 4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexane-1-carboxylate Openeye Name: (4-heptylphenyl) 4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexanecarboxylate CAS Name: 4-[(E)-4-cyano-4-fluorobut-3-enyl]-1-cyclohexanecarboxylic acid (4-heptylphenyl) ester IUPAC Name: (4-heptylphenyl) 4-[(E)-4-cyano-4-fluorobut-3-enyl]cyclohexane-1-carboxylate Traditional Name: 4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexanecarboxylic acid (4-heptylphenyl) ester Formula: C25H34FNO2 MolecularWeight: 399.541363

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34FNO2/c1-2-3-4-5-6-8-20-13-17-24(18-14-20)29-25(28)22-15-11-21(12-16-22)9-7-10-23(26)19-27/h10,13-14,17-18,21-22H,2-9,11-12,15-16H2,1H3/b23-10+