[4-(4-butylcyclohexyl)cyclohexyl] 4-cyanobenzoate

Systemtic Name: [4-(4-butylcyclohexyl)cyclohexyl] 4-cyanobenzoate Openeye Name: [4-(4-butylcyclohexyl)cyclohexyl] 4-cyanobenzoate CAS Name: 4-cyanobenzoic acid [4-(4-butylcyclohexyl)cyclohexyl] ester IUPAC Name: [4-(4-butylcyclohexyl)cyclohexyl] 4-cyanobenzoate Traditional Name: 4-cyanobenzoic acid [4-(4-butylcyclohexyl)cyclohexyl] ester Formula: C24H33NO2 MolecularWeight: 367.52432

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC=C(C=C3)C#N

Isomeric SMILES

CCCCC1CCC(CC1)C2CCC(CC2)OC(=O)C3=CC=C(C=C3)C#N

InChI

InChI=1S/C24H33NO2/c1-2-3-4-18-5-9-20(10-6-18)21-13-15-23(16-14-21)27-24(26)22-11-7-19(17-25)8-12-22/h7-8,11-12,18,20-21,23H,2-6,9-10,13-16H2,1H3