(2R,3R,4R,5S)-2,4-diethanoyl-5-methyl-5-oxidanyl-3-pyridin-3-yl-cyclohexan-1-one

Systemtic Name: (2R,3R,4R,5S)-2,4-diethanoyl-5-methyl-5-oxidanyl-3-pyridin-3-yl-cyclohexan-1-one Openeye Name: (2R,3R,4R,5S)-2,4-diacetyl-5-hydroxy-5-methyl-3-(3-pyridyl)cyclohexanone CAS Name: (2R,3R,4R,5S)-2,4-diacetyl-5-hydroxy-5-methyl-3-(3-pyridinyl)-1-cyclohexanone IUPAC Name: (2R,3R,4R,5S)-2,4-diacetyl-5-hydroxy-5-methyl-3-pyridin-3-ylcyclohexan-1-one Traditional Name: (2R,3R,4R,5S)-2,4-diacetyl-5-hydroxy-5-methyl-3-(3-pyridyl)cyclohexanone Formula: C16H19NO4 MolecularWeight: 289.32636

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(=O)[C@H]1[C@@H]([C@H]([C@@](CC1=O)(C)O)C(=O)C)C2=CN=CC=C2

InChI

InChI=1S/C16H19NO4/c1-9(18)13-12(20)7-16(3,21)15(10(2)19)14(13)11-5-4-6-17-8-11/h4-6,8,13-15,21H,7H2,1-3H3/t13-,14+,15-,16+/m1/s1