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

Systemtic Name: methyl (3S,4R)-2,2-dimethyl-3-oxidanyl-4-(2-oxidanylidenepyridin-1-yl)-3,4-dihydrochromene-6-carboxylate Openeye Name: methyl (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 methyl ester IUPAC Name: methyl (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 methyl ester Formula: C18H19NO5 MolecularWeight: 329.34716

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C(=O)OC)N3C=CC=CC3=O)O)C

Isomeric SMILES

CC1([C@H]([C@@H](C2=C(O1)C=CC(=C2)C(=O)OC)N3C=CC=CC3=O)O)C

InChI

InChI=1S/C18H19NO5/c1-18(2)16(21)15(19-9-5-4-6-14(19)20)12-10-11(17(22)23-3)7-8-13(12)24-18/h4-10,15-16,21H,1-3H3/t15-,16+/m1/s1