2-(pyridin-2-ylmethyl)piperazine-1,2,4-tricarboxylic acid

Systemtic Name: 2-(pyridin-2-ylmethyl)piperazine-1,2,4-tricarboxylic acid Openeye Name: 2-(2-pyridylmethyl)piperazine-1,2,4-tricarboxylic acid CAS Name: 2-(2-pyridinylmethyl)piperazine-1,2,4-tricarboxylic acid IUPAC Name: 2-(pyridin-2-ylmethyl)piperazine-1,2,4-tricarboxylic acid Traditional Name: 2-(2-pyridylmethyl)piperazine-1,2,4-tricarboxylic acid Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C(CN1C(=O)O)(CC2=CC=CC=N2)C(=O)O)C(=O)O

Isomeric SMILES

C1CN(C(CN1C(=O)O)(CC2=CC=CC=N2)C(=O)O)C(=O)O

InChI

InChI=1S/C13H15N3O6/c17-10(18)13(7-9-3-1-2-4-14-9)8-15(11(19)20)5-6-16(13)12(21)22/h1-4H,5-8H2,(H,17,18)(H,19,20)(H,21,22)