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

Systemtic Name: (4-heptylcyclohexyl) 4-cyano-4-heptyl-cyclohexane-1-carboxylate Openeye Name: (4-heptylcyclohexyl) 4-cyano-4-heptyl-cyclohexanecarboxylate CAS Name: 4-cyano-4-heptyl-1-cyclohexanecarboxylic acid (4-heptylcyclohexyl) ester IUPAC Name: (4-heptylcyclohexyl) 4-cyano-4-heptylcyclohexane-1-carboxylate Traditional Name: 4-cyano-4-heptyl-cyclohexanecarboxylic acid (4-heptylcyclohexyl) ester Formula: C28H49NO2 MolecularWeight: 431.69416

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)OC(=O)C2CCC(CC2)(CCCCCCC)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)OC(=O)C2CCC(CC2)(CCCCCCC)C#N

InChI

InChI=1S/C28H49NO2/c1-3-5-7-9-11-13-24-14-16-26(17-15-24)31-27(30)25-18-21-28(23-29,22-19-25)20-12-10-8-6-4-2/h24-26H,3-22H2,1-2H3