[1-(2-cyanoethynyl)-4-(4-propylcyclohexyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate

Systemtic Name: [1-(2-cyanoethynyl)-4-(4-propylcyclohexyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [1-(2-cyanoethynyl)-4-(4-propylcyclohexyl)cyclohexyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [1-(2-cyanoethynyl)-4-(4-propylcyclohexyl)cyclohexyl] ester IUPAC Name: [1-(2-cyanoethynyl)-4-(4-propylcyclohexyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [1-(2-cyanoethynyl)-4-(4-propylcyclohexyl)cyclohexyl] ester Formula: C28H43NO2 MolecularWeight: 425.64652

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1CCC(CC1)C2CCC(CC2)(C#CC#N)OC(=O)C3CCC(CC3)CCC

Isomeric SMILES

CCCC1CCC(CC1)C2CCC(CC2)(C#CC#N)OC(=O)C3CCC(CC3)CCC

InChI

InChI=1S/C28H43NO2/c1-3-6-22-8-12-24(13-9-22)25-16-19-28(20-17-25,18-5-21-29)31-27(30)26-14-10-23(7-4-2)11-15-26/h22-26H,3-4,6-17,19-20H2,1-2H3