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CHEBI:114270 - 5-bromo-3-[[3-(3,3-dimethyl-1-piperidinyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester

ChEBI IDCHEBI:114270
ChEBI Name5-bromo-3-[[3-(3,3-dimethyl-1-piperidinyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester
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DownloadsMolfile
FormulaC21H28BrN3O3
Net Charge0
Average Mass450.377
Monoisotopic Mass449.13140
SMILESCCOC(=O)c1nc2ccc(Br)cc2c1NC(=O)CCN1CCCC(C)(C)C1
InChIInChI=1S/C21H28BrN3O3/c1-4-28-20(27)19-18(15-12-14(22)6-7-16(15)23-19)24-17(26)8-11-25-10-5-9-21(2,3)13-25/h6-7,12,23H,4-5,8-11,13H2,1-3H3,(H,24,26)
InChIKeyAOWDMULDHNLFER-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-bromo-3-[[3-(3,3-dimethyl-1-piperidinyl)-1-oxopropyl]amino]-1H-indole-2-carboxylic acid ethyl ester (CHEBI:114270) is a indolyl carboxylic acid (CHEBI:46867)
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