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CHEBI:108102 - 4-[[[5-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]benzoic acid propan-2-yl ester

ChEBI IDCHEBI:108102
ChEBI Name4-[[[5-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]benzoic acid propan-2-yl ester
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Last Modified9 March 2018
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FormulaC21H22ClN3O4
Net Charge0
Average Mass415.877
Monoisotopic Mass415.12988
SMILESCc1nn(Cc2ccc(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)o2)c(C)c1Cl
InChIInChI=1S/C21H22ClN3O4/c1-12(2)28-21(27)15-5-7-16(8-6-15)23-20(26)18-10-9-17(29-18)11-25-14(4)19(22)13(3)24-25/h5-10,12H,11H2,1-4H3,(H,23,26)
InChIKeyIYBQADCFOWHEEK-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
4-[[[5-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]benzoic acid propan-2-yl ester (CHEBI:108102) is a aromatic amide (CHEBI:62733)
4-[[[5-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]benzoic acid propan-2-yl ester (CHEBI:108102) is a furans (CHEBI:24129)
4-[[[5-[(4-chloro-3,5-dimethyl-1-pyrazolyl)methyl]-2-furanyl]-oxomethyl]amino]benzoic acid propan-2-yl ester (CHEBI:108102) is a isopropyl ester (CHEBI:35725)
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