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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 1-[2-hydroxy-3-[4-(2-methylbutan-2-yl)phenoxy]propyl]-4-piperidinecarboxylic acid ethyl ester
ChEBI ID CHEBI:107765
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C22H35NO4
Net Charge 0
Average Mass 377.518
Monoisotopic Mass 377.25661
InChI InChI=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
InChIKey CLVBZZPHOLPDKS-UHFFFAOYSA-N
SMILES CCC(C)(C)C1=CC=C(C=C1)OCC(CN2CCC(CC2)C(=O)OCC)O
Roles Classification
Chemical Role(s): Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
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ChEBI Ontology
Outgoing 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 Xref Database
LSM-19142 LINCS
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