ECTO | Classes | AgroPortal

ID	http://purl.obolibrary.org/obo/CHEBI_132963 http://purl.obolibrary.org/obo/CHEBI_132963 https://agroportal.lirmm.fr/ontologies/ECTO/CHEBI_132963 Loading
Preferred name	butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate
Synonyms	butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate
Definitions	A carboxylic ester resulting from the formal condensation of the carboxy group 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid with the hydroxy group of butan-1-ol.

oboinowl_gen:inSubset	http://purl.obolibrary.org/obo/chebi#3_STAR
obo_purl:smiles	C1(=CC=C(N=C1)OC2=CC=C(C=C2)OC(C(OCCCC)=O)C)C(F)(F)F
obo_purl:charge	0
obo_purl:inchikey	VAIZTNZGPYBOGF-UHFFFAOYSA-N
oboinowl_gen:hasDbXref	PPDB:323
obo_purl:IAO_0000115	A carboxylic ester resulting from the formal condensation of the carboxy group 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoic acid with the hydroxy group of butan-1-ol.
skos:notation	CHEBI:132963
oboinowl_gen:hasExactSynonym	butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate
obo_purl:mass	383.362
obo_purl:inchi	InChI=1S/C19H20F3NO4/c1-3-4-11-25-18(24)13(2)26-15-6-8-16(9-7-15)27-17-10-5-14(12-23-17)19(20,21)22/h5-10,12-13H,3-4,11H2,1-2H3
obo_purl:has_functional_parent	http://purl.obolibrary.org/obo/CHEBI_28885 http://purl.obolibrary.org/obo/CHEBI_83598
obo_purl:formula	C19H20F3NO4
oboinowl_gen:hasOBONamespace	chebi_ontology
rdf:type	http://www.w3.org/2002/07/owl#Class
oboinowl_gen:id	CHEBI:132963
rdfs:label	butyl 2-(4-{[5-(trifluoromethyl)pyridin-2-yl]oxy}phenoxy)propanoate
obo_purl:monoisotopicmass	383.13444
rdfs:subClassOf	http://purl.obolibrary.org/obo/CHEBI_33308 http://purl.obolibrary.org/obo/CHEBI_26421 http://purl.obolibrary.org/obo/CHEBI_35618 http://purl.obolibrary.org/obo/CHEBI_37143

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