(2,3-dicyano-4-propyl-phenyl) 1-heptylbicyclo[2.2.2]octane-4-carboxylate

Systemtic Name: (2,3-dicyano-4-propyl-phenyl) 1-heptylbicyclo[2.2.2]octane-4-carboxylate Openeye Name: (2,3-dicyano-4-propyl-phenyl) 1-heptylbicyclo[2.2.2]octane-4-carboxylate CAS Name: 1-heptyl-4-bicyclo[2.2.2]octanecarboxylic acid (2,3-dicyano-4-propylphenyl) ester IUPAC Name: (2,3-dicyano-4-propylphenyl) 1-heptylbicyclo[2.2.2]octane-4-carboxylate Traditional Name: 1-heptylbicyclo[2.2.2]octane-4-carboxylic acid (2,3-dicyano-4-propyl-phenyl) ester Formula: C27H36N2O2 MolecularWeight: 420.58694

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H36N2O2/c1-3-5-6-7-8-12-26-13-16-27(17-14-26,18-15-26)25(30)31-24-11-10-21(9-4-2)22(19-28)23(24)20-29/h10-11H,3-9,12-18H2,1-2H3