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

Systemtic Name: [4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexyl] 4-(4-hexylphenyl)cyclohexane-1-carboxylate Openeye Name: [4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexyl] 4-(4-hexylphenyl)cyclohexanecarboxylate CAS Name: 4-(4-hexylphenyl)-1-cyclohexanecarboxylic acid [4-[(E)-4-cyano-4-fluorobut-3-enyl]cyclohexyl] ester IUPAC Name: [4-[(E)-4-cyano-4-fluorobut-3-enyl]cyclohexyl] 4-(4-hexylphenyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-hexylphenyl)cyclohexanecarboxylic acid [4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexyl] ester Formula: C30H42FNO2 MolecularWeight: 467.658383

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)CCC=C(C#N)F

Isomeric SMILES

CCCCCCC1=CC=C(C=C1)C2CCC(CC2)C(=O)OC3CCC(CC3)CC/C=C(\C#N)/F

InChI

InChI=1S/C30H42FNO2/c1-2-3-4-5-7-23-10-14-25(15-11-23)26-16-18-27(19-17-26)30(33)34-29-20-12-24(13-21-29)8-6-9-28(31)22-32/h9-11,14-15,24,26-27,29H,2-8,12-13,16-21H2,1H3/b28-9+