CHEBI:49520 - (2R)-2-(4-CHLORO-3-{[3-(6-METHOXY-1,2-BENZISOXAZOL-3-YL)-2-METHYL-6-(TRIFLUOROMETHOXY)-1H-INDOL-1-YL]METHYL}PHENOXY)PROPANOIC ACID

ChEBI IDCHEBI:49520
ChEBI Name(2R)-2-(4-CHLORO-3-{[3-(6-METHOXY-1,2-BENZISOXAZOL-3-YL)-2-METHYL-6-(TRIFLUOROMETHOXY)-1H-INDOL-1-YL]METHYL}PHENOXY)PROPANOIC ACID
Stars
DownloadsMolfile
FormulaC28H22ClF3N2O6
Net Charge0
Average Mass574.939
Monoisotopic Mass574.11185
SMILES[H]OC(=O)[C@]([H])(Oc1c([H])c([H])c(Cl)c(C([H])([H])n2c(C([H])([H])[H])c(-c3noc4c([H])c(OC([H])([H])[H])c([H])c([H])c34)c3c([H])c([H])c(OC(F)(F)F)c([H])c32)c1[H])C([H])([H])[H]
InChIInChI=1S/C28H22ClF3N2O6/c1-14-25(26-21-8-4-17(37-3)12-24(21)40-33-26)20-7-5-19(39-28(30,31)32)11-23(20)34(14)13-16-10-18(6-9-22(16)29)38-15(2)27(35)36/h4-12,15H,13H2,1-3H3,(H,35,36)/t15-/m1/s1
InChIKeySCDKVHCGNOYKFK-OAHLLOKOSA-N
ChEBI Ontology
Outgoing Relation(s)
(2R)-2-(4-CHLORO-3-{[3-(6-METHOXY-1,2-BENZISOXAZOL-3-YL)-2-METHYL-6-(TRIFLUOROMETHOXY)-1H-INDOL-1-YL]METHYL}PHENOXY)PROPANOIC ACID (CHEBI:49520) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2R)-2-(4-chloro-3-{[3-(6-methoxy-1,2-benzisoxazol-3-yl)-2-methyl-6-(trifluoromethoxy)-1H-indol-1-yl]methyl}phenoxy)propanoic acidPDBeChem
(2R)-2-(4-CHLORO-3-{[3-(6-METHOXY-1,2-BENZISOXAZOL-3-YL)-2-METHYL-6-(TRIFLUOROMETHOXY)-1H-INDOL-1-YL]METHYL}PHENOXY)PROPANOIC ACIDPDBeChem
Manual XrefsDatabases
C03PDBeChem