(4S)-2-butanoyl-5,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)-3-oxidanyl-cyclohex-2-en-1-one

Systemtic Name: (4S)-2-butanoyl-5,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)-3-oxidanyl-cyclohex-2-en-1-one Openeye Name: (4S)-2-butanoyl-3-hydroxy-5,5-dimethyl-4-(3-methylisoxazol-5-yl)cyclohex-2-en-1-one CAS Name: (4S)-3-hydroxy-5,5-dimethyl-4-(3-methyl-5-isoxazolyl)-2-(1-oxobutyl)-1-cyclohex-2-enone IUPAC Name: (4S)-2-butanoyl-3-hydroxy-5,5-dimethyl-4-(3-methyl-1,2-oxazol-5-yl)cyclohex-2-en-1-one Traditional Name: (4S)-2-butyryl-3-hydroxy-5,5-dimethyl-4-(3-methylisoxazol-5-yl)cyclohex-2-en-1-one Formula: C16H21NO4 MolecularWeight: 291.34224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(C(CC1=O)(C)C)C2=CC(=NO2)C)O

Isomeric SMILES

CCCC(=O)C1=C([C@H](C(CC1=O)(C)C)C2=CC(=NO2)C)O

InChI

InChI=1S/C16H21NO4/c1-5-6-10(18)13-11(19)8-16(3,4)14(15(13)20)12-7-9(2)17-21-12/h7,14,20H,5-6,8H2,1-4H3/t14-/m1/s1