(5S,6R)-2-butanoyl-6-(3-methyl-1,2-oxazol-5-yl)-3-oxidanylidene-5-phenyl-cyclohexen-1-olate

Systemtic Name: (5S,6R)-2-butanoyl-6-(3-methyl-1,2-oxazol-5-yl)-3-oxidanylidene-5-phenyl-cyclohexen-1-olate Openeye Name: (5S,6R)-2-butanoyl-6-(3-methylisoxazol-5-yl)-3-oxo-5-phenyl-cyclohexen-1-olate CAS Name: (5S,6R)-6-(3-methyl-5-isoxazolyl)-3-oxo-2-(1-oxobutyl)-5-phenyl-1-cyclohexenolate IUPAC Name: (5S,6R)-2-butanoyl-6-(3-methyl-1,2-oxazol-5-yl)-3-oxo-5-phenylcyclohexen-1-olate Traditional Name: (5S,6R)-2-butyryl-3-keto-6-(3-methylisoxazol-5-yl)-5-phenyl-cyclohexen-1-olate Formula: C20H20NO4- MolecularWeight: 338.3771

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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/p-1/t14-,18+/m1/s1