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

Systemtic Name: (4R,5S)-2-butanoyl-4-(3-methyl-1,2-oxazol-5-yl)-3-oxidanyl-5-phenyl-cyclohex-2-en-1-one Openeye Name: (4R,5S)-2-butanoyl-3-hydroxy-4-(3-methylisoxazol-5-yl)-5-phenyl-cyclohex-2-en-1-one CAS Name: (4R,5S)-3-hydroxy-4-(3-methyl-5-isoxazolyl)-2-(1-oxobutyl)-5-phenyl-1-cyclohex-2-enone IUPAC Name: (4R,5S)-2-butanoyl-3-hydroxy-4-(3-methyl-1,2-oxazol-5-yl)-5-phenylcyclohex-2-en-1-one Traditional Name: (4R,5S)-2-butyryl-3-hydroxy-4-(3-methylisoxazol-5-yl)-5-phenyl-cyclohex-2-en-1-one Formula: C20H21NO4 MolecularWeight: 339.38504

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(C(C(CC1=O)C2=CC=CC=C2)C3=CC(=NO3)C)O

Isomeric SMILES

CCCC(=O)C1=C([C@@H]([C@H](CC1=O)C2=CC=CC=C2)C3=CC(=NO3)C)O

InChI

InChI=1S/C20H21NO4/c1-3-7-15(22)19-16(23)11-14(13-8-5-4-6-9-13)18(20(19)24)17-10-12(2)21-25-17/h4-6,8-10,14,18,24H,3,7,11H2,1-2H3/t14-,18+/m1/s1