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

Systemtic Name: [4-(4-cyano-4-ethyl-cyclohexyl)cyclohexyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-(4-cyano-4-ethyl-cyclohexyl)cyclohexyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-(4-cyano-4-ethylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-cyano-4-ethylcyclohexyl)cyclohexyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-(4-cyano-4-ethyl-cyclohexyl)cyclohexyl] ester Formula: C27H45NO2 MolecularWeight: 415.6517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45NO2/c1-3-5-6-7-21-8-10-24(11-9-21)26(29)30-25-14-12-22(13-15-25)23-16-18-27(4-2,20-28)19-17-23/h21-25H,3-19H2,1-2H3