ethyl 4-[[[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]-pyridin-2-yl-methyl]amino]benzoate

Systemtic Name: ethyl 4-[[[6-(hydroxymethyl)-3-oxidanyl-4-oxidanylidene-pyran-2-yl]-pyridin-2-yl-methyl]amino]benzoate Openeye Name: ethyl 4-[[[3-hydroxy-6-(hydroxymethyl)-4-oxo-pyran-2-yl]-(2-pyridyl)methyl]amino]benzoate CAS Name: 4-[[[3-hydroxy-6-(hydroxymethyl)-4-oxo-2-pyranyl]-(2-pyridinyl)methyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[3-hydroxy-6-(hydroxymethyl)-4-oxopyran-2-yl]-pyridin-2-ylmethyl]amino]benzoate Traditional Name: 4-[[(3-hydroxy-4-keto-6-methylol-pyran-2-yl)-(2-pyridyl)methyl]amino]benzoic acid ethyl ester Formula: C21H20N2O6 MolecularWeight: 396.3933

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC(C2=CC=CC=N2)C3=C(C(=O)C=C(O3)CO)O

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC(C2=CC=CC=N2)C3=C(C(=O)C=C(O3)CO)O

InChI

InChI=1S/C21H20N2O6/c1-2-28-21(27)13-6-8-14(9-7-13)23-18(16-5-3-4-10-22-16)20-19(26)17(25)11-15(12-24)29-20/h3-11,18,23-24,26H,2,12H2,1H3