5-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]pyrrolidine-2,4,4-tricarboxylic acid

Systemtic Name: 5-[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]pyrrolidine-2,4,4-tricarboxylic acid Openeye Name: 5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]pyrrolidine-2,4,4-tricarboxylic acid CAS Name: 5-[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]pyrrolidine-2,4,4-tricarboxylic acid IUPAC Name: 5-[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]pyrrolidine-2,4,4-tricarboxylic acid Traditional Name: 5-(3-hydroxy-2-methyl-5-methylol-4-pyridyl)pyrrolidine-2,4,4-tricarboxylic acid Formula: C14H16N2O8 MolecularWeight: 340.28544

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)C2C(CC(N2)C(=O)O)(C(=O)O)C(=O)O)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)C2C(CC(N2)C(=O)O)(C(=O)O)C(=O)O)CO

InChI

InChI=1S/C14H16N2O8/c1-5-9(18)8(6(4-17)3-15-5)10-14(12(21)22,13(23)24)2-7(16-10)11(19)20/h3,7,10,16-18H,2,4H2,1H3,(H,19,20)(H,21,22)(H,23,24)