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

Systemtic Name: [4-(4-cyano-4-heptyl-cyclohexyl)cyclohexyl] 4-butylcyclohexane-1-carboxylate Openeye Name: [4-(4-cyano-4-heptyl-cyclohexyl)cyclohexyl] 4-butylcyclohexanecarboxylate CAS Name: 4-butyl-1-cyclohexanecarboxylic acid [4-(4-cyano-4-heptylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-cyano-4-heptylcyclohexyl)cyclohexyl] 4-butylcyclohexane-1-carboxylate Traditional Name: 4-butylcyclohexanecarboxylic acid [4-(4-cyano-4-heptyl-cyclohexyl)cyclohexyl] ester Formula: C31H53NO2 MolecularWeight: 471.75802

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H53NO2/c1-3-5-7-8-9-21-31(24-32)22-19-27(20-23-31)26-15-17-29(18-16-26)34-30(33)28-13-11-25(12-14-28)10-6-4-2/h25-29H,3-23H2,1-2H3