2,2-bis[3-oxidanylidene-3-(pyridin-2-ylmethylamino)propyl]propanedioic acid

Systemtic Name: 2,2-bis[3-oxidanylidene-3-(pyridin-2-ylmethylamino)propyl]propanedioic acid Openeye Name: 2,2-bis[3-oxo-3-(2-pyridylmethylamino)propyl]propanedioic acid CAS Name: 2,2-bis[3-oxo-3-(2-pyridinylmethylamino)propyl]propanedioic acid IUPAC Name: 2,2-bis[3-oxo-3-(pyridin-2-ylmethylamino)propyl]propanedioic acid Traditional Name: 2,2-bis[3-keto-3-(2-pyridylmethylamino)propyl]malonic acid Formula: C21H24N4O6 MolecularWeight: 428.43846

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=NC(=C1)CNC(=O)CCC(CCC(=O)NCC2=CC=CC=N2)(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=NC(=C1)CNC(=O)CCC(CCC(=O)NCC2=CC=CC=N2)(C(=O)O)C(=O)O

InChI

InChI=1S/C21H24N4O6/c26-17(24-13-15-5-1-3-11-22-15)7-9-21(19(28)29,20(30)31)10-8-18(27)25-14-16-6-2-4-12-23-16/h1-6,11-12H,7-10,13-14H2,(H,24,26)(H,25,27)(H,28,29)(H,30,31)