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CHEBI:109693 - 3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxoethyl]amino]-5-ethoxy-1H-indole-2-carboxylic acid ethyl ester

ChEBI IDCHEBI:109693
ChEBI Name3-[[2-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxoethyl]amino]-5-ethoxy-1H-indole-2-carboxylic acid ethyl ester
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DownloadsMolfile
FormulaC22H29N3O6
Net Charge0
Average Mass431.489
Monoisotopic Mass431.20564
SMILESCCOC(=O)c1nc2ccc(OCC)cc2c1NC(=O)CN1CCC2(CC1)OCCO2
InChIInChI=1S/C22H29N3O6/c1-3-28-15-5-6-17-16(13-15)19(20(23-17)21(27)29-4-2)24-18(26)14-25-9-7-22(8-10-25)30-11-12-31-22/h5-6,13,23H,3-4,7-12,14H2,1-2H3,(H,24,26)
InChIKeyONLPJGMXXNUEHT-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-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-1-oxoethyl]amino]-5-ethoxy-1H-indole-2-carboxylic acid ethyl ester (CHEBI:109693) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
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