[4-(4-cyanophenyl)phenyl] 1-hexylbicyclo[2.2.2]octane-4-carboxylate

Systemtic Name: [4-(4-cyanophenyl)phenyl] 1-hexylbicyclo[2.2.2]octane-4-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 1-hexylbicyclo[2.2.2]octane-4-carboxylate CAS Name: 1-hexyl-4-bicyclo[2.2.2]octanecarboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 1-hexylbicyclo[2.2.2]octane-4-carboxylate Traditional Name: 1-hexylbicyclo[2.2.2]octane-4-carboxylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C28H33NO2 MolecularWeight: 415.56712

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC12CCC(CC1)(CC2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCCCC12CCC(CC1)(CC2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C28H33NO2/c1-2-3-4-5-14-27-15-18-28(19-16-27,20-17-27)26(30)31-25-12-10-24(11-13-25)23-8-6-22(21-29)7-9-23/h6-13H,2-5,14-20H2,1H3