methyl 2-acetyloxy-4-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]benzoate

Systemtic Name: methyl 2-acetyloxy-4-[[5-(hydroxymethyl)-2-methyl-3-oxidanyl-pyridin-4-yl]methylamino]benzoate Openeye Name: methyl 2-acetoxy-4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridyl]methylamino]benzoate CAS Name: 2-acetyloxy-4-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methylamino]benzoic acid methyl ester IUPAC Name: methyl 2-acetyloxy-4-[[3-hydroxy-5-(hydroxymethyl)-2-methylpyridin-4-yl]methylamino]benzoate Traditional Name: 2-acetoxy-4-[(3-hydroxy-2-methyl-5-methylol-4-pyridyl)methylamino]benzoic acid methyl ester Formula: C18H20N2O6 MolecularWeight: 360.3612

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H20N2O6/c1-10-17(23)15(12(9-21)7-19-10)8-20-13-4-5-14(18(24)25-3)16(6-13)26-11(2)22/h4-7,20-21,23H,8-9H2,1-3H3