EMBL-EBI | Chemical Biology | ChEBI

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

CHEBI:93345 - 1-[2-(2,5-dimethylphenoxy)ethyl]-3-indolecarboxylic acid

Default Structure
ChEBI IDCHEBI:93345
ChEBI Name1-[2-(2,5-dimethylphenoxy)ethyl]-3-indolecarboxylic acid
Stars
DownloadsMolfile
FormulaC19H19NO3
Net Charge0
Average Mass309.365
Monoisotopic Mass309.13649
SMILESCc1ccc(C)c(OCCn2cc(C(=O)O)c3ccccc32)c1
InChIInChI=1S/C19H19NO3/c1-13-7-8-14(2)18(11-13)23-10-9-20-12-16(19(21)22)15-5-3-4-6-17(15)20/h3-8,11-12H,9-10H2,1-2H3,(H,21,22)
InChIKeyLILIWWFBJKBUCO-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)
1-[2-(2,5-dimethylphenoxy)ethyl]-3-indolecarboxylic acid (CHEBI:93345) is a indolyl carboxylic acid (CHEBI:46867)
Manual XrefsDatabases
LSM-3713LINCS