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CHEBI:43522 - ethyl 4-{4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]butoxy}benzoate

ChEBI IDCHEBI:43522
ChEBI Nameethyl 4-{4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]butoxy}benzoate
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Last Modified26 February 2008
DownloadsMolfile
FormulaC23H31N3O3
Net Charge0
Average Mass397.519
Monoisotopic Mass397.23654
SMILES[H]c1c(N2C([H])([H])C([H])([H])C([H])(C([H])([H])C([H])([H])C([H])([H])C([H])([H])Oc3c([H])c([H])c(C(=O)OC([H])([H])C([H])([H])[H])c([H])c3[H])C([H])([H])C2([H])[H])nnc(C([H])([H])[H])c1[H]
InChIInChI=1S/C23H31N3O3/c1-3-28-23(27)20-8-10-21(11-9-20)29-17-5-4-6-19-13-15-26(16-14-19)22-12-7-18(2)24-25-22/h7-12,19H,3-6,13-17H2,1-2H3
InChIKeyAQILFLLHLFBLLG-UHFFFAOYSA-N
ChEBI Ontology
Outgoing Relation(s)
ethyl 4-{4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]butoxy}benzoate (CHEBI:43522) is a benzoate ester (CHEBI:36054)
ethyl 4-{4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]butoxy}benzoate (CHEBI:43522) is a pyridazinylpiperidine (CHEBI:48586)
Synonyms  Source
(METHYLPYRIDAZINE PIPERIDINE BUTYLOXYPHENYL)ETHYLACETATEPDBeChem
ethyl 4-{4-[1-(6-methylpyridazin-3-yl)piperidin-4-yl]butoxy}benzoatePDBeChem
Manual XrefsDatabases
J80PDBeChem