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CHEBI:107923 - 5-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester

ChEBI IDCHEBI:107923
ChEBI Name5-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester
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DownloadsMolfile
FormulaC26H30N4O4
Net Charge0
Average Mass462.550
Monoisotopic Mass462.22671
SMILESCCOC(=O)c1c(C)n(Cc2ccccc2)c2ccc(OCC(O)Cn3nc(C)nc3C)cc12
InChIInChI=1S/C26H30N4O4/c1-5-33-26(32)25-17(2)29(14-20-9-7-6-8-10-20)24-12-11-22(13-23(24)25)34-16-21(31)15-30-19(4)27-18(3)28-30/h6-13,21,31H,5,14-16H2,1-4H3
InChIKeyAGFWYRJIAJSVTE-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)
5-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)-2-hydroxypropoxy]-2-methyl-1-(phenylmethyl)-3-indolecarboxylic acid ethyl ester (CHEBI:107923) is a indolyl carboxylic acid (CHEBI:46867)
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