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CHEBI:114838 - 4-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid

ChEBI IDCHEBI:114838
ChEBI Name4-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid
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DownloadsMolfile
FormulaC21H25ClN2O5
Net Charge0
Average Mass420.893
Monoisotopic Mass420.14520
SMILESCC(C)(C)OC(=O)N1CCC(Cc2cc(-c3ccc(Cl)cc3)no2)(C(=O)O)CC1
InChIInChI=1S/C21H25ClN2O5/c1-20(2,3)28-19(27)24-10-8-21(9-11-24,18(25)26)13-16-12-17(23-29-16)14-4-6-15(22)7-5-14/h4-7,12H,8-11,13H2,1-3H3,(H,25,26)
InChIKeyCJEIOHLLURWDLL-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
ChEBI Ontology
Outgoing Relation(s)
4-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid (CHEBI:114838) is a carboxylic acid (CHEBI:33575)
4-[[3-(4-chlorophenyl)-5-isoxazolyl]methyl]-1-[(2-methylpropan-2-yl)oxy-oxomethyl]-4-piperidinecarboxylic acid (CHEBI:114838) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-26300LINCS