(4-hexylcyclohexyl) 4-cyano-4-pentyl-cyclohexane-1-carboxylate

Systemtic Name: (4-hexylcyclohexyl) 4-cyano-4-pentyl-cyclohexane-1-carboxylate Openeye Name: (4-hexylcyclohexyl) 4-cyano-4-pentyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-pentyl-1-cyclohexanecarboxylic acid (4-hexylcyclohexyl) ester IUPAC Name: (4-hexylcyclohexyl) 4-cyano-4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amyl-4-cyano-cyclohexanecarboxylic acid (4-hexylcyclohexyl) ester Formula: C25H43NO2 MolecularWeight: 389.61442

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC1CCC(CC1)OC(=O)C2CCC(CC2)(CCCCC)C#N

Isomeric SMILES

CCCCCCC1CCC(CC1)OC(=O)C2CCC(CC2)(CCCCC)C#N

InChI

InChI=1S/C25H43NO2/c1-3-5-7-8-10-21-11-13-23(14-12-21)28-24(27)22-15-18-25(20-26,19-16-22)17-9-6-4-2/h21-23H,3-19H2,1-2H3