CHEBI:104235 - 2-(4-chlorophenoxy)butanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester

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ChEBI Name 2-(4-chlorophenoxy)butanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester
ChEBI ID CHEBI:104235
Stars This entity has been manually annotated by a third party.
Supplier Information
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Formula C18H24ClNO3
Net Charge 0
Average Mass 337.842
Monoisotopic Mass 337.14447
InChI InChI=1S/C18H24ClNO3/c1-3-17(22-15-8-4-12(19)5-9-15)18(21)23-16-10-13-6-7-14(11-16)20(13)2/h4-5,8-9,13-14,16-17H,3,6-7,10-11H2,1-2H3
InChIKey WTPAXDRULIZRDJ-UHFFFAOYSA-N
SMILES CCC(C(=O)OC1CC2CCC(C1)N2C)OC3=CC=C(C=C3)Cl
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 2-(4-chlorophenoxy)butanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester (CHEBI:104235) is a monocarboxylic acid (CHEBI:25384)
Manual Xref Database
LSM-15599 LINCS
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