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CHEBI:111183 - 2-(2-cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester

ChEBI IDCHEBI:111183
ChEBI Name2-(2-cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester
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DownloadsMolfile
FormulaC20H20N2O4
Net Charge0
Average Mass352.390
Monoisotopic Mass352.14231
SMILESC=CCn1c(C)cc(C(=O)COC(=O)COc2ccccc2C#N)c1C
InChIInChI=1S/C20H20N2O4/c1-4-9-22-14(2)10-17(15(22)3)18(23)12-26-20(24)13-25-19-8-6-5-7-16(19)11-21/h4-8,10H,1,9,12-13H2,2-3H3
InChIKeyMNZSMOANAWFQPI-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)
2-(2-cyanophenoxy)acetic acid [2-(2,5-dimethyl-1-prop-2-enyl-3-pyrrolyl)-2-oxoethyl] ester (CHEBI:111183) is a monocarboxylic acid (CHEBI:25384)
Manual XrefsDatabases
LSM-22639LINCS