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CHEBI:107716 - 3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-methyl-2-indolecarboxylic acid

ChEBI IDCHEBI:107716
ChEBI Name3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-methyl-2-indolecarboxylic acid
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DownloadsMolfile
FormulaC20H18N2O5
Net Charge0
Average Mass366.373
Monoisotopic Mass366.12157
SMILESCn1c(C(=O)O)c(CC(=O)Nc2ccc3c(c2)OCCO3)c2ccccc21
InChIInChI=1S/C20H18N2O5/c1-22-15-5-3-2-4-13(15)14(19(22)20(24)25)11-18(23)21-12-6-7-16-17(10-12)27-9-8-26-16/h2-7,10H,8-9,11H2,1H3,(H,21,23)(H,24,25)
InChIKeyRZIXCUMFPILECJ-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)
3-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]-1-methyl-2-indolecarboxylic acid (CHEBI:107716) is a indolyl carboxylic acid (CHEBI:46867)
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