[4-(4-cyano-4-pentyl-cyclohexyl)cyclohexyl] 4-pentylcyclohexane-1-carboxylate

Systemtic Name: [4-(4-cyano-4-pentyl-cyclohexyl)cyclohexyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-(4-cyano-4-pentyl-cyclohexyl)cyclohexyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-(4-cyano-4-pentylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-cyano-4-pentylcyclohexyl)cyclohexyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-(4-amyl-4-cyano-cyclohexyl)cyclohexyl] ester Formula: C30H51NO2 MolecularWeight: 457.73144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1CCC(CC1)C(=O)OC2CCC(CC2)C3CCC(CC3)(CCCCC)C#N

Isomeric SMILES

CCCCCC1CCC(CC1)C(=O)OC2CCC(CC2)C3CCC(CC3)(CCCCC)C#N

InChI

InChI=1S/C30H51NO2/c1-3-5-7-9-24-10-12-27(13-11-24)29(32)33-28-16-14-25(15-17-28)26-18-21-30(23-31,22-19-26)20-8-6-4-2/h24-28H,3-22H2,1-2H3