ethyl (3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyridin-1-yl)-3,4-dihydrochromene-6-carboxylate

Systemtic Name: ethyl (3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyridin-1-yl)-3,4-dihydrochromene-6-carboxylate Openeye Name: ethyl (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridyl)chromane-6-carboxylate CAS Name: (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxo-1-pyridinyl)-3,4-dihydro-2H-1-benzopyran-6-carboxylic acid ethyl ester IUPAC Name: ethyl (3S,4R)-3-hydroxy-2,2-dimethyl-4-(2-oxopyridin-1-yl)-3,4-dihydrochromene-6-carboxylate Traditional Name: (3S,4R)-3-hydroxy-4-(2-keto-1-pyridyl)-2,2-dimethyl-chroman-6-carboxylic acid ethyl ester Formula: C19H21NO5 MolecularWeight: 343.37374

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC2=C(C=C1)OC(C(C2N3C=CC=CC3=O)O)(C)C

Isomeric SMILES

CCOC(=O)C1=CC2=C(C=C1)OC([C@H]([C@@H]2N3C=CC=CC3=O)O)(C)C

InChI

InChI=1S/C19H21NO5/c1-4-24-18(23)12-8-9-14-13(11-12)16(17(22)19(2,3)25-14)20-10-6-5-7-15(20)21/h5-11,16-17,22H,4H2,1-3H3/t16-,17+/m1/s1