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

Systemtic Name: [4-(4-propylphenyl)cyclohexyl] 4-[(E)-4-cyano-4-fluoranyl-but-3-enyl]cyclohexane-1-carboxylate Openeye Name: [4-(4-propylphenyl)cyclohexyl] 4-[(E)-4-cyano-4-fluoro-but-3-enyl]cyclohexanecarboxylate CAS Name: 4-[(E)-4-cyano-4-fluorobut-3-enyl]-1-cyclohexanecarboxylic acid [4-(4-propylphenyl)cyclohexyl] ester IUPAC Name: [4-(4-propylphenyl)cyclohexyl] 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-(4-propylphenyl)cyclohexyl] ester Formula: C27H36FNO2 MolecularWeight: 425.578643

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)C2CCC(CC2)OC(=O)C3CCC(CC3)CCC=C(C#N)F

Isomeric SMILES

CCCC1=CC=C(C=C1)C2CCC(CC2)OC(=O)C3CCC(CC3)CC/C=C(\C#N)/F

InChI

InChI=1S/C27H36FNO2/c1-2-4-20-7-11-22(12-8-20)23-15-17-26(18-16-23)31-27(30)24-13-9-21(10-14-24)5-3-6-25(28)19-29/h6-8,11-12,21,23-24,26H,2-5,9-10,13-18H2,1H3/b25-6+