tert-butyl 4-oxidanylidene-6-[2-oxidanyl-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-pyridine-3-carboxylate

Systemtic Name: tert-butyl 4-oxidanylidene-6-[2-oxidanyl-2-(3,4,5-trimethoxyphenyl)ethyl]-1H-pyridine-3-carboxylate Openeye Name: tert-butyl 6-[2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxylate CAS Name: 6-[2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-[2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-4-oxo-1H-pyridine-3-carboxylate Traditional Name: 6-[2-hydroxy-2-(3,4,5-trimethoxyphenyl)ethyl]-4-keto-1H-pyridine-3-carboxylic acid tert-butyl ester Formula: C21H27NO7 MolecularWeight: 405.44158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CNC(=CC1=O)CC(C2=CC(=C(C(=C2)OC)OC)OC)O

Isomeric SMILES

CC(C)(C)OC(=O)C1=CNC(=CC1=O)CC(C2=CC(=C(C(=C2)OC)OC)OC)O

InChI

InChI=1S/C21H27NO7/c1-21(2,3)29-20(25)14-11-22-13(10-16(14)24)9-15(23)12-7-17(26-4)19(28-6)18(8-12)27-5/h7-8,10-11,15,23H,9H2,1-6H3,(H,22,24)