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

Systemtic Name: [4-(4-cyano-4-propyl-cyclohexyl)cyclohexyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-(4-cyano-4-propyl-cyclohexyl)cyclohexyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-(4-cyano-4-propylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-cyano-4-propylcyclohexyl)cyclohexyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-(4-cyano-4-propyl-cyclohexyl)cyclohexyl] ester Formula: C28H47NO2 MolecularWeight: 429.67828

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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