EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:109820 - 7-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid ethyl ester

ChEBI IDCHEBI:109820
ChEBI Name7-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid ethyl ester
Stars
DownloadsMolfile
FormulaC23H23N3O5
Net Charge0
Average Mass421.453
Monoisotopic Mass421.16377
SMILESCCOC(=O)c1nc2cc3c(cc2c1NC(=O)CN1CCc2ccccc2C1)OCO3
InChIInChI=1S/C23H23N3O5/c1-2-29-23(28)22-21(16-9-18-19(31-13-30-18)10-17(16)24-22)25-20(27)12-26-8-7-14-5-3-4-6-15(14)11-26/h3-6,9-10,24H,2,7-8,11-13H2,1H3,(H,25,27)
InChIKeyLYURDMGWTPAOKT-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)
7-[[2-(3,4-dihydro-1H-isoquinolin-2-yl)-1-oxoethyl]amino]-5H-[1,3]dioxolo[4,5-f]indole-6-carboxylic acid ethyl ester (CHEBI:109820) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-21248LINCS