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

Systemtic Name: 2,3-dicyano-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzoate Openeye Name: 2,3-dicyano-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzoate CAS Name: 2,3-dicyano-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzoate IUPAC Name: 2,3-dicyano-4-(1-pentyl-4-bicyclo[2.2.2]octanyl)benzoate Traditional Name: 4-(1-amyl-4-bicyclo[2.2.2]octanyl)-2,3-dicyano-benzoate Formula: C22H25N2O2- MolecularWeight: 349.4461

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C(=O)[O-])C#N)C#N

Isomeric SMILES

CCCCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C(=O)[O-])C#N)C#N

InChI

InChI=1S/C22H26N2O2/c1-2-3-4-7-21-8-11-22(12-9-21,13-10-21)19-6-5-16(20(25)26)17(14-23)18(19)15-24/h5-6H,2-4,7-13H2,1H3,(H,25,26)/p-1