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

Systemtic Name: [4-(4-cyanophenyl)phenyl] 1-heptylbicyclo[2.2.2]octane-4-carboxylate Openeye Name: [4-(4-cyanophenyl)phenyl] 1-heptylbicyclo[2.2.2]octane-4-carboxylate CAS Name: 1-heptyl-4-bicyclo[2.2.2]octanecarboxylic acid [4-(4-cyanophenyl)phenyl] ester IUPAC Name: [4-(4-cyanophenyl)phenyl] 1-heptylbicyclo[2.2.2]octane-4-carboxylate Traditional Name: 1-heptylbicyclo[2.2.2]octane-4-carboxylic acid [4-(4-cyanophenyl)phenyl] ester Formula: C29H35NO2 MolecularWeight: 429.5937

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC12CCC(CC1)(CC2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

Isomeric SMILES

CCCCCCCC12CCC(CC1)(CC2)C(=O)OC3=CC=C(C=C3)C4=CC=C(C=C4)C#N

InChI

InChI=1S/C29H35NO2/c1-2-3-4-5-6-15-28-16-19-29(20-17-28,21-18-28)27(31)32-26-13-11-25(12-14-26)24-9-7-23(22-30)8-10-24/h7-14H,2-6,15-21H2,1H3