(4-propylphenyl) 4-[(1E,3E)-4-cyano-4-fluoranyl-buta-1,3-dienyl]cyclohexane-1-carboxylate

Systemtic Name: (4-propylphenyl) 4-[(1E,3E)-4-cyano-4-fluoranyl-buta-1,3-dienyl]cyclohexane-1-carboxylate Openeye Name: (4-propylphenyl) 4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexanecarboxylate CAS Name: 4-[(1E,3E)-4-cyano-4-fluorobuta-1,3-dienyl]-1-cyclohexanecarboxylic acid (4-propylphenyl) ester IUPAC Name: (4-propylphenyl) 4-[(1E,3E)-4-cyano-4-fluorobuta-1,3-dienyl]cyclohexane-1-carboxylate Traditional Name: 4-[(1E,3E)-4-cyano-4-fluoro-buta-1,3-dienyl]cyclohexanecarboxylic acid (4-propylphenyl) ester Formula: C21H24FNO2 MolecularWeight: 341.419163

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C=CC=C(C#N)F

Isomeric SMILES

CCCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)/C=C/C=C(\C#N)/F

InChI

InChI=1S/C21H24FNO2/c1-2-4-16-9-13-20(14-10-16)25-21(24)18-11-7-17(8-12-18)5-3-6-19(22)15-23/h3,5-6,9-10,13-14,17-18H,2,4,7-8,11-12H2,1H3/b5-3+,19-6+