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CHEBI:105746 - 3-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]benzoic acid methyl ester

ChEBI IDCHEBI:105746
ChEBI Name3-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]benzoic acid methyl ester
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DownloadsMolfile
FormulaC21H20N4O5
Net Charge0
Average Mass408.414
Monoisotopic Mass408.14337
SMILESCOC(=O)c1cccc(-c2ccc(C(c3c(C)nnc3=O)c3c(C)nnc3=O)o2)c1
InChIInChI=1S/C21H20N4O5/c1-10-16(19(26)24-22-10)18(17-11(2)23-25-20(17)27)15-8-7-14(30-15)12-5-4-6-13(9-12)21(28)29-3/h4-9,18H,1-3H3,(H2,22,24,26)(H2,23,25,27)
InChIKeyXHCYOXYTVCQWBK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
3-[5-[bis(3-methyl-5-oxo-1,2-dihydropyrazol-4-yl)methyl]-2-furanyl]benzoic acid methyl ester (CHEBI:105746) is a benzoate ester (CHEBI:36054)
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LSM-17108LINCS