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

Systemtic Name: 2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)benzoate Openeye Name: 2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)benzoate CAS Name: 2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)benzoate IUPAC Name: 2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)benzoate Traditional Name: 2,3-dicyano-4-(1-propyl-4-bicyclo[2.2.2]octanyl)benzoate Formula: C20H21N2O2- MolecularWeight: 321.39294

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C(=O)[O-])C#N)C#N

Isomeric SMILES

CCCC12CCC(CC1)(CC2)C3=C(C(=C(C=C3)C(=O)[O-])C#N)C#N

InChI

InChI=1S/C20H22N2O2/c1-2-5-19-6-9-20(10-7-19,11-8-19)17-4-3-14(18(23)24)15(12-21)16(17)13-22/h3-4H,2,5-11H2,1H3,(H,23,24)/p-1