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

Systemtic Name: (4-hexylcyclohexyl) 4-cyano-4-heptyl-cyclohexane-1-carboxylate Openeye Name: (4-hexylcyclohexyl) 4-cyano-4-heptyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-heptyl-1-cyclohexanecarboxylic acid (4-hexylcyclohexyl) ester IUPAC Name: (4-hexylcyclohexyl) 4-cyano-4-heptylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-heptyl-cyclohexanecarboxylic acid (4-hexylcyclohexyl) ester Formula: C27H47NO2 MolecularWeight: 417.66758

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C(=O)OC2CCC(CC2)CCCCCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C(=O)OC2CCC(CC2)CCCCCC)C#N

InChI

InChI=1S/C27H47NO2/c1-3-5-7-9-11-19-27(22-28)20-17-24(18-21-27)26(29)30-25-15-13-23(14-16-25)12-10-8-6-4-2/h23-25H,3-21H2,1-2H3