(2-cyano-4-fluoranyl-phenyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate

Systemtic Name: (2-cyano-4-fluoranyl-phenyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate Openeye Name: (2-cyano-4-fluoro-phenyl) 4-(4-pentylcyclohexyl)cyclohexanecarboxylate CAS Name: 4-(4-pentylcyclohexyl)-1-cyclohexanecarboxylic acid (2-cyano-4-fluorophenyl) ester IUPAC Name: (2-cyano-4-fluorophenyl) 4-(4-pentylcyclohexyl)cyclohexane-1-carboxylate Traditional Name: 4-(4-amylcyclohexyl)cyclohexanecarboxylic acid (2-cyano-4-fluoro-phenyl) ester Formula: C25H34FNO2 MolecularWeight: 399.541363

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C=C(C=C3)F)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C2CCC(CC2)C(=O)OC3=C(C=C(C=C3)F)C#N

InChI

InChI=1S/C25H34FNO2/c1-2-3-4-5-18-6-8-19(9-7-18)20-10-12-21(13-11-20)25(28)29-24-15-14-23(26)16-22(24)17-27/h14-16,18-21H,2-13H2,1H3