[2,3-dicyano-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl] propanoate

Systemtic Name: [2,3-dicyano-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl] propanoate Openeye Name: [2,3-dicyano-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl] propanoate CAS Name: propanoic acid [2,3-dicyano-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl] ester IUPAC Name: [2,3-dicyano-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)phenyl] propanoate Traditional Name: propionic acid [4-(1-amyl-4-bicyclo[2.2.2]octanyl)-2,3-dicyano-phenyl] ester Formula: C24H30N2O2 MolecularWeight: 378.5072

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)OC(=O)CC)C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)OC(=O)CC)C#N)C#N

InChI

InChI=1S/C24H30N2O2/c1-3-5-6-9-23-10-13-24(14-11-23,15-12-23)20-7-8-21(28-22(27)4-2)19(17-26)18(20)16-25/h7-8H,3-6,9-15H2,1-2H3