[4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexyl] 4-ethylbenzoate

Systemtic Name: [4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexyl] 4-ethylbenzoate Openeye Name: [4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexyl] 4-ethylbenzoate CAS Name: 4-ethylbenzoic acid [4-[(E)-4-cyano-4-fluorobut-3-enyl]cyclohexyl] ester IUPAC Name: [4-[(E)-4-cyano-4-fluorobut-3-enyl]cyclohexyl] 4-ethylbenzoate Traditional Name: 4-ethylbenzoic acid [4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexyl] ester Formula: C20H24FNO2 MolecularWeight: 329.408463

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CCC=C(C#N)F

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CC/C=C(\C#N)/F

InChI

InChI=1S/C20H24FNO2/c1-2-15-6-10-17(11-7-15)20(23)24-19-12-8-16(9-13-19)4-3-5-18(21)14-22/h5-7,10-11,16,19H,2-4,8-9,12-13H2,1H3/b18-5+