methyl 3-butanoyl-2-oxidanyl-4-oxidanylidene-6-(3-propan-2-yl-1,2-oxazol-5-yl)cyclohex-2-ene-1-carboxylate

Systemtic Name: methyl 3-butanoyl-2-oxidanyl-4-oxidanylidene-6-(3-propan-2-yl-1,2-oxazol-5-yl)cyclohex-2-ene-1-carboxylate Openeye Name: methyl 3-butanoyl-2-hydroxy-6-(3-isopropylisoxazol-5-yl)-4-oxo-cyclohex-2-ene-1-carboxylate CAS Name: 2-hydroxy-4-oxo-3-(1-oxobutyl)-6-(3-propan-2-yl-5-isoxazolyl)-1-cyclohex-2-enecarboxylic acid methyl ester IUPAC Name: methyl 3-butanoyl-2-hydroxy-4-oxo-6-(3-propan-2-yl-1,2-oxazol-5-yl)cyclohex-2-ene-1-carboxylate Traditional Name: 3-butyryl-2-hydroxy-6-(3-isopropylisoxazol-5-yl)-4-keto-cyclohex-2-ene-1-carboxylic acid methyl ester Formula: C18H23NO6 MolecularWeight: 349.37832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H23NO6/c1-5-6-12(20)16-13(21)7-10(15(17(16)22)18(23)24-4)14-8-11(9(2)3)19-25-14/h8-10,15,22H,5-7H2,1-4H3