diethyl (2S,4S)-2-(3-ethanoyl-6-methyl-2-oxidanyl-4-oxidanylidene-pyridin-1-yl)-4-methyl-pentanedioate

Systemtic Name: diethyl (2S,4S)-2-(3-ethanoyl-6-methyl-2-oxidanyl-4-oxidanylidene-pyridin-1-yl)-4-methyl-pentanedioate Openeye Name: diethyl (2S,4S)-2-(3-acetyl-2-hydroxy-6-methyl-4-oxo-1-pyridyl)-4-methyl-pentanedioate CAS Name: (2S,4S)-2-(3-acetyl-2-hydroxy-6-methyl-4-oxo-1-pyridinyl)-4-methylpentanedioic acid diethyl ester IUPAC Name: diethyl (2S,4S)-2-(3-acetyl-2-hydroxy-6-methyl-4-oxopyridin-1-yl)-4-methylpentanedioate Traditional Name: (2S,4S)-2-(3-acetyl-2-hydroxy-4-keto-6-methyl-1-pyridyl)-4-methyl-glutaric acid diethyl ester Formula: C18H25NO7 MolecularWeight: 367.3936

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)CC(C(=O)OCC)N1C(=CC(=O)C(=C1O)C(=O)C)C

Isomeric SMILES

CCOC(=O)[C@@H](C)C[C@@H](C(=O)OCC)N1C(=CC(=O)C(=C1O)C(=O)C)C

InChI

InChI=1S/C18H25NO7/c1-6-25-17(23)10(3)8-13(18(24)26-7-2)19-11(4)9-14(21)15(12(5)20)16(19)22/h9-10,13,22H,6-8H2,1-5H3/t10-,13-/m0/s1