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

Systemtic Name: (4-ethylphenyl) 4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexane-1-carboxylate Openeye Name: (4-ethylphenyl) 4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexanecarboxylate CAS Name: 4-[(E)-4-cyano-4-fluorobut-3-enyl]-1-cyclohexanecarboxylic acid (4-ethylphenyl) ester IUPAC Name: (4-ethylphenyl) 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-ethylphenyl) ester Formula: C20H24FNO2 MolecularWeight: 329.408463

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H24FNO2/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/h5,8-9,12-13,16-17H,2-4,6-7,10-11H2,1H3/b18-5+