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

Systemtic Name: [4-(4-cyano-4-heptyl-cyclohexyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate Openeye Name: [4-(4-cyano-4-heptyl-cyclohexyl)cyclohexyl] 4-propylcyclohexanecarboxylate CAS Name: 4-propyl-1-cyclohexanecarboxylic acid [4-(4-cyano-4-heptylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-cyano-4-heptylcyclohexyl)cyclohexyl] 4-propylcyclohexane-1-carboxylate Traditional Name: 4-propylcyclohexanecarboxylic acid [4-(4-cyano-4-heptyl-cyclohexyl)cyclohexyl] ester Formula: C30H51NO2 MolecularWeight: 457.73144

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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