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CHEBI:49393 - (2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID

Default Structure
ChEBI IDCHEBI:49393
ChEBI Name(2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID
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Last Modified17 October 2009
DownloadsMolfile
FormulaC28H24F3NO6
Net Charge0
Average Mass527.495
Monoisotopic Mass527.15557
SMILES[H]OC(=O)[C@@]([H])(Oc1c([H])c([H])c([H])c([H])c1C([H])([H])c1c(C([H])([H])[H])n(C(=O)c2c([H])c([H])c(OC([H])([H])[H])c([H])c2[H])c2c([H])c([H])c(OC(F)(F)F)c([H])c12)C([H])([H])[H]
InChIInChI=1S/C28H24F3NO6/c1-16-22(14-19-6-4-5-7-25(19)37-17(2)27(34)35)23-15-21(38-28(29,30)31)12-13-24(23)32(16)26(33)18-8-10-20(36-3)11-9-18/h4-13,15,17H,14H2,1-3H3,(H,34,35)/t17-/m0/s1
InChIKeyBWTOBMCYVACNJZ-KRWDZBQOSA-N
ChEBI Ontology
Outgoing Relation(s)
(2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACID (CHEBI:49393) is a unclassifieds (CHEBI:27189)
Synonyms  Source
(2S)-2-(2-{[1-(4-METHOXYBENZOYL)-2-METHYL-5-(TRIFLUOROMETHOXY)-1H-INDOL-3-YL]METHYL}PHENOXY)PROPANOIC ACIDPDBeChem
(2S)-2-[2-({1-[(4-methoxyphenyl)carbonyl]-2-methyl-5-(trifluoromethoxy)-1H-indol-3-yl}methyl)phenoxy]propanoic acidPDBeChem
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