dimethyl (1S,2R,3S,4R)-4-methyl-4-oxidanyl-6-oxidanylidene-2-pyridin-3-yl-cyclohexane-1,3-dicarboxylate

Systemtic Name: dimethyl (1S,2R,3S,4R)-4-methyl-4-oxidanyl-6-oxidanylidene-2-pyridin-3-yl-cyclohexane-1,3-dicarboxylate Openeye Name: dimethyl (1S,2R,3S,4R)-4-hydroxy-4-methyl-6-oxo-2-(3-pyridyl)cyclohexane-1,3-dicarboxylate CAS Name: (1S,2R,3S,4R)-4-hydroxy-4-methyl-6-oxo-2-(3-pyridinyl)cyclohexane-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl (1S,2R,3S,4R)-4-hydroxy-4-methyl-6-oxo-2-pyridin-3-ylcyclohexane-1,3-dicarboxylate Traditional Name: (1S,2R,3S,4R)-4-hydroxy-6-keto-4-methyl-2-(3-pyridyl)cyclohexane-1,3-dicarboxylic acid dimethyl ester Formula: C16H19NO6 MolecularWeight: 321.32516

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=O)C(C(C1C(=O)OC)C2=CN=CC=C2)C(=O)OC)O

Isomeric SMILES

C[C@]1(CC(=O)[C@H]([C@@H]([C@@H]1C(=O)OC)C2=CN=CC=C2)C(=O)OC)O

InChI

InChI=1S/C16H19NO6/c1-16(21)7-10(18)12(14(19)22-2)11(13(16)15(20)23-3)9-5-4-6-17-8-9/h4-6,8,11-13,21H,7H2,1-3H3/t11-,12+,13+,16+/m0/s1