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

Systemtic Name: [4-(4-cyano-4-propyl-cyclohexyl)cyclohexyl] 4-heptylcyclohexane-1-carboxylate Openeye Name: [4-(4-cyano-4-propyl-cyclohexyl)cyclohexyl] 4-heptylcyclohexanecarboxylate CAS Name: 4-heptyl-1-cyclohexanecarboxylic acid [4-(4-cyano-4-propylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-cyano-4-propylcyclohexyl)cyclohexyl] 4-heptylcyclohexane-1-carboxylate Traditional Name: 4-heptylcyclohexanecarboxylic acid [4-(4-cyano-4-propyl-cyclohexyl)cyclohexyl] ester Formula: C30H51NO2 MolecularWeight: 457.73144

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C(=O)OC2CCC(CC2)C3CCC(CC3)(CCC)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)C(=O)OC2CCC(CC2)C3CCC(CC3)(CCC)C#N

InChI

InChI=1S/C30H51NO2/c1-3-5-6-7-8-9-24-10-12-27(13-11-24)29(32)33-28-16-14-25(15-17-28)26-18-21-30(23-31,20-4-2)22-19-26/h24-28H,3-22H2,1-2H3