4-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]benzoic acid

Systemtic Name: 4-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]benzoic acid Openeye Name: 4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]benzoic acid CAS Name: 4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]benzoic acid IUPAC Name: 4-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]benzoic acid Traditional Name: 4-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methylamino]benzoic acid Formula: C15H16N2O4 MolecularWeight: 288.29854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNC2=CC=C(C=C2)C(=O)O)CO

Isomeric SMILES

CC1=NC=C(C(=C1O)CNC2=CC=C(C=C2)C(=O)O)CO

InChI

InChI=1S/C15H16N2O4/c1-9-14(19)13(11(8-18)6-16-9)7-17-12-4-2-10(3-5-12)15(20)21/h2-6,17-19H,7-8H2,1H3,(H,20,21)