9-oxidanylidene-3,7-bis(pyridin-2-ylmethyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate

Systemtic Name: 9-oxidanylidene-3,7-bis(pyridin-2-ylmethyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate Openeye Name: 9-oxo-3,7-bis(2-pyridylmethyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate CAS Name: 9-oxo-3,7-bis(2-pyridinylmethyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate IUPAC Name: 9-oxo-3,7-bis(pyridin-2-ylmethyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate Traditional Name: 9-keto-3,7-bis(2-pyridylmethyl)-3,7-diazabicyclo[3.3.1]nonane-1,5-dicarboxylate Formula: C21H20N4O5-2 MolecularWeight: 408.4073

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Descriptors Computed from Structure

Canonical SMILES:

C1C2(CN(CC(C2=O)(CN1CC3=CC=CC=N3)C(=O)[O-])CC4=CC=CC=N4)C(=O)[O-]

Isomeric SMILES

C1C2(CN(CC(C2=O)(CN1CC3=CC=CC=N3)C(=O)[O-])CC4=CC=CC=N4)C(=O)[O-]

InChI

InChI=1S/C21H22N4O5/c26-17-20(18(27)28)11-24(9-15-5-1-3-7-22-15)12-21(17,19(29)30)14-25(13-20)10-16-6-2-4-8-23-16/h1-8H,9-14H2,(H,27,28)(H,29,30)/p-2