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

Systemtic Name: [4-(4-cyano-4-pentyl-cyclohexyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [4-(4-cyano-4-pentyl-cyclohexyl)cyclohexyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [4-(4-cyano-4-pentylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-cyano-4-pentylcyclohexyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [4-(4-amyl-4-cyano-cyclohexyl)cyclohexyl] ester Formula: C28H47NO2 MolecularWeight: 429.67828

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1(CCC(CC1)C2CCC(CC2)OC(=O)C3CCC(CC3)CCC)C#N

Isomeric SMILES

CCCCCC1(CCC(CC1)C2CCC(CC2)OC(=O)C3CCC(CC3)CCC)C#N

InChI

InChI=1S/C28H47NO2/c1-3-5-6-18-28(21-29)19-16-24(17-20-28)23-12-14-26(15-13-23)31-27(30)25-10-8-22(7-4-2)9-11-25/h22-26H,3-20H2,1-2H3