[4-(4-cyano-4-ethyl-cyclohexyl)cyclohexyl] 4-heptylcyclohexane-1-carboxylate

Systemtic Name: [4-(4-cyano-4-ethyl-cyclohexyl)cyclohexyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [4-(4-cyano-4-ethyl-cyclohexyl)cyclohexyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [4-(4-cyano-4-ethylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-cyano-4-ethylcyclohexyl)cyclohexyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [4-(4-cyano-4-ethyl-cyclohexyl)cyclohexyl] ester Formula: C29H49NO2 MolecularWeight: 443.70486

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(=O)OC2CCC(CC2)C3CCC(CC3)(CC)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(=O)OC2CCC(CC2)C3CCC(CC3)(CC)C#N

InChI

InChI=1S/C29H49NO2/c1-3-5-6-7-8-9-23-10-12-26(13-11-23)28(31)32-27-16-14-24(15-17-27)25-18-20-29(4-2,22-30)21-19-25/h23-27H,3-21H2,1-2H3