CHEBI:94731 - 2-[3-(trifluoromethyl)anilino]benzoic acid 2-(2-hydroxyethoxy)ethyl ester

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
ChEBI Name 2-[3-(trifluoromethyl)anilino]benzoic acid 2-(2-hydroxyethoxy)ethyl ester
ChEBI ID CHEBI:94731
Stars This entity has been manually annotated by a third party.
Supplier Information
Download Molfile XML SDF
Formula C18H18F3NO4
Net Charge 0
Average Mass 369.336
Monoisotopic Mass 369.119
InChI InChI=1S/C18H18F3NO4/c19-18(20,21)13-4-3-5-14(12-13)22-16-7-2-1-6-15(16)17(24)26-11-10-25-9-8-23/h1-7,12,22-23H,8-11H2
InChIKey XILVEPYQJIOVNB-UHFFFAOYSA-N
SMILES C1=CC=C(C(=C1)C(=O)OCCOCCO)NC2=CC=CC(=C2)C(F)(F)F
ChEBI Ontology
Outgoing 2-[3-(trifluoromethyl)anilino]benzoic acid 2-(2-hydroxyethoxy)ethyl ester (CHEBI:94731) is a benzoate ester (CHEBI:36054)
Synonyms Sources
bayrogel DrugCentral
etofen DrugCentral
flogoprofen DrugCentral
rheumon DrugCentral
Manual Xrefs Databases
3211 DrugCentral
LSM-5813 LINCS
View more database links
Registry Number Type Source
30544-47-9 CAS Registry Number DrugCentral
Last Modified
22 February 2017