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

Systemtic Name: (4-ethylphenyl) 4-[(1E,3E)-4-cyano-4-fluoranyl-buta-1,3-dienyl]cyclohexane-1-carboxylate Openeye Name: (4-ethylphenyl) 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-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 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-ethylphenyl) ester Formula: C20H22FNO2 MolecularWeight: 327.392583

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)C=CC=C(C#N)F

Isomeric SMILES

CCC1=CC=C(C=C1)OC(=O)C2CCC(CC2)/C=C/C=C(\C#N)/F

InChI

InChI=1S/C20H22FNO2/c1-2-15-8-12-19(13-9-15)24-20(23)17-10-6-16(7-11-17)4-3-5-18(21)14-22/h3-5,8-9,12-13,16-17H,2,6-7,10-11H2,1H3/b4-3+,18-5+