carboxy 5,8-diethyl-4-(4-methylphenyl)-4-oxidanyl-1-oxidanylidene-3H-pyrano[3,4-c]pyridine-3-carboxylate

Systemtic Name: carboxy 5,8-diethyl-4-(4-methylphenyl)-4-oxidanyl-1-oxidanylidene-3H-pyrano[3,4-c]pyridine-3-carboxylate Openeye Name: carboxy 5,8-diethyl-4-hydroxy-1-oxo-4-(p-tolyl)-3H-pyrano[3,4-c]pyridine-3-carboxylate CAS Name: 5,8-diethyl-4-hydroxy-4-(4-methylphenyl)-1-oxo-3H-pyrano[3,4-c]pyridine-3-carboxylic acid carboxy ester IUPAC Name: carboxy 5,8-diethyl-4-hydroxy-4-(4-methylphenyl)-1-oxo-3H-pyrano[3,4-c]pyridine-3-carboxylate Traditional Name: 5,8-diethyl-4-hydroxy-1-keto-4-(p-tolyl)-3H-pyrano[3,4-c]pyridine-3-carboxylic acid carboxy ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C2=C1C(C(OC2=O)C(=O)OC(=O)O)(C3=CC=C(C=C3)C)O)CC

Isomeric SMILES

CCC1=CN=C(C2=C1C(C(OC2=O)C(=O)OC(=O)O)(C3=CC=C(C=C3)C)O)CC

InChI

InChI=1S/C21H21NO7/c1-4-12-10-22-14(5-2)15-16(12)21(27,13-8-6-11(3)7-9-13)17(28-18(15)23)19(24)29-20(25)26/h6-10,17,27H,4-5H2,1-3H3,(H,25,26)