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CHEBI:107765 - 1-[2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-4-piperidinecarboxylic acid ethyl ester

ChEBI IDCHEBI:107765
ChEBI Name1-[2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-4-piperidinecarboxylic acid ethyl ester
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DownloadsMolfile
FormulaC22H35NO4
Net Charge0
Average Mass377.525
Monoisotopic Mass377.25661
SMILESCCOC(=O)C1CCN(CC(O)COc2ccc(C(C)(C)CC)cc2)CC1
InChIInChI=1S/C22H35NO4/c1-5-22(3,4)18-7-9-20(10-8-18)27-16-19(24)15-23-13-11-17(12-14-23)21(25)26-6-2/h7-10,17,19,24H,5-6,11-16H2,1-4H3
InChIKeyCLVBZZPHOLPDKS-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)
1-[2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-4-piperidinecarboxylic acid ethyl ester (CHEBI:107765) is a carboxylic acid (CHEBI:33575)
1-[2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-4-piperidinecarboxylic acid ethyl ester (CHEBI:107765) is a piperidines (CHEBI:26151)
Manual XrefsDatabases
LSM-19142LINCS