tert-butyl 4-oxidanylidene-6-(2-oxidanyl-2-phenyl-ethyl)-1H-pyridine-3-carboxylate

Systemtic Name: tert-butyl 4-oxidanylidene-6-(2-oxidanyl-2-phenyl-ethyl)-1H-pyridine-3-carboxylate Openeye Name: tert-butyl 6-(2-hydroxy-2-phenyl-ethyl)-4-oxo-1H-pyridine-3-carboxylate CAS Name: 6-(2-hydroxy-2-phenylethyl)-4-oxo-1H-pyridine-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 6-(2-hydroxy-2-phenylethyl)-4-oxo-1H-pyridine-3-carboxylate Traditional Name: 6-(2-hydroxy-2-phenyl-ethyl)-4-keto-1H-pyridine-3-carboxylic acid tert-butyl ester Formula: C18H21NO4 MolecularWeight: 315.36364

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H21NO4/c1-18(2,3)23-17(22)14-11-19-13(10-16(14)21)9-15(20)12-7-5-4-6-8-12/h4-8,10-11,15,20H,9H2,1-3H3,(H,19,21)