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

Systemtic Name: [4-(4-cyano-4-heptyl-cyclohexyl)cyclohexyl] 4-ethylcyclohexane-1-carboxylate Openeye Name: [4-(4-cyano-4-heptyl-cyclohexyl)cyclohexyl] 4-ethylcyclohexanecarboxylate CAS Name: 4-ethyl-1-cyclohexanecarboxylic acid [4-(4-cyano-4-heptylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-cyano-4-heptylcyclohexyl)cyclohexyl] 4-ethylcyclohexane-1-carboxylate Traditional Name: 4-ethylcyclohexanecarboxylic acid [4-(4-cyano-4-heptyl-cyclohexyl)cyclohexyl] ester Formula: C29H49NO2 MolecularWeight: 443.70486

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H49NO2/c1-3-5-6-7-8-19-29(22-30)20-17-25(18-21-29)24-13-15-27(16-14-24)32-28(31)26-11-9-23(4-2)10-12-26/h23-27H,3-21H2,1-2H3