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

Systemtic Name: [4-(4-cyano-4-heptyl-cyclohexyl)cyclohexyl] 4-pentylcyclohexane-1-carboxylate Openeye Name: [4-(4-cyano-4-heptyl-cyclohexyl)cyclohexyl] 4-pentylcyclohexanecarboxylate CAS Name: 4-pentyl-1-cyclohexanecarboxylic acid [4-(4-cyano-4-heptylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-cyano-4-heptylcyclohexyl)cyclohexyl] 4-pentylcyclohexane-1-carboxylate Traditional Name: 4-amylcyclohexanecarboxylic acid [4-(4-cyano-4-heptyl-cyclohexyl)cyclohexyl] ester Formula: C32H55NO2 MolecularWeight: 485.7846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1(CCC(CC1)C2CCC(CC2)OC(=O)C3CCC(CC3)CCCCC)C#N

Isomeric SMILES

CCCCCCCC1(CCC(CC1)C2CCC(CC2)OC(=O)C3CCC(CC3)CCCCC)C#N

InChI

InChI=1S/C32H55NO2/c1-3-5-7-8-10-22-32(25-33)23-20-28(21-24-32)27-16-18-30(19-17-27)35-31(34)29-14-12-26(13-15-29)11-9-6-4-2/h26-30H,3-24H2,1-2H3