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

Systemtic Name: [4-(4-cyano-4-pentyl-cyclohexyl)cyclohexyl] 4-ethylcyclohexane-1-carboxylate Openeye Name: [4-(4-cyano-4-pentyl-cyclohexyl)cyclohexyl] 4-ethylcyclohexanecarboxylate CAS Name: 4-ethyl-1-cyclohexanecarboxylic acid [4-(4-cyano-4-pentylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-cyano-4-pentylcyclohexyl)cyclohexyl] 4-ethylcyclohexane-1-carboxylate Traditional Name: 4-ethylcyclohexanecarboxylic acid [4-(4-amyl-4-cyano-cyclohexyl)cyclohexyl] ester Formula: C27H45NO2 MolecularWeight: 415.6517

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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