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

Systemtic Name: [4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexyl] 4-hexylbenzoate Openeye Name: [4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexyl] 4-hexylbenzoate CAS Name: 4-hexylbenzoic acid [4-[(E)-4-cyano-4-fluorobut-3-enyl]cyclohexyl] ester IUPAC Name: [4-[(E)-4-cyano-4-fluorobut-3-enyl]cyclohexyl] 4-hexylbenzoate Traditional Name: 4-hexylbenzoic acid [4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexyl] ester Formula: C24H32FNO2 MolecularWeight: 385.514783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CCC=C(C#N)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C(=O)OC2CCC(CC2)CC/C=C(\C#N)/F

InChI

InChI=1S/C24H32FNO2/c1-2-3-4-5-7-19-10-14-21(15-11-19)24(27)28-23-16-12-20(13-17-23)8-6-9-22(25)18-26/h9-11,14-15,20,23H,2-8,12-13,16-17H2,1H3/b22-9+