EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:48523 - 2-[(2,6-dichlorobenzoyl)oxy]-3-[2-(2,6-dichlorophenyl)-6-quinolyl]propanoic acid
| Formula | C25H15Cl4NO4 |
| Net Charge | 0 |
| Average Mass | 535.210 |
| Monoisotopic Mass | 532.97552 |
| SMILES | O=C(OC(Cc1ccc2nc(-c3c(Cl)cccc3Cl)ccc2c1)C(=O)O)c1c(Cl)cccc1Cl |
| InChI | InChI=1S/C25H15Cl4NO4/c26-15-3-1-4-16(27)22(15)20-10-8-14-11-13(7-9-19(14)30-20)12-21(24(31)32)34-25(33)23-17(28)5-2-6-18(23)29/h1-11,21H,12H2,(H,31,32) |
| InChIKey | RIBLCKIMIXLBMP-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) |
| 2-[(2,6-dichlorobenzoyl)oxy]-3-[2-(2,6-dichlorophenyl)-6-quinolyl]propanoic acid (CHEBI:48523) has functional parent rac-lactic acid (CHEBI:28358) |
| 2-[(2,6-dichlorobenzoyl)oxy]-3-[2-(2,6-dichlorophenyl)-6-quinolyl]propanoic acid (CHEBI:48523) has part 2,6-dichlorobenzoyl group (CHEBI:48625) |
| 2-[(2,6-dichlorobenzoyl)oxy]-3-[2-(2,6-dichlorophenyl)-6-quinolyl]propanoic acid (CHEBI:48523) is a carboxylic ester (CHEBI:33308) |
| 2-[(2,6-dichlorobenzoyl)oxy]-3-[2-(2,6-dichlorophenyl)-6-quinolyl]propanoic acid (CHEBI:48523) is a dichlorobenzene (CHEBI:23697) |
| 2-[(2,6-dichlorobenzoyl)oxy]-3-[2-(2,6-dichlorophenyl)-6-quinolyl]propanoic acid (CHEBI:48523) is a monocarboxylic acid (CHEBI:25384) |
| 2-[(2,6-dichlorobenzoyl)oxy]-3-[2-(2,6-dichlorophenyl)-6-quinolyl]propanoic acid (CHEBI:48523) is a quinolines (CHEBI:26513) |
| IUPAC Name |
|---|
| 2-[(2,6-dichlorobenzoyl)oxy]-3-[2-(2,6-dichlorophenyl)quinolin-6-yl]propanoic acid |
| Synonym | Source |
|---|---|
| 2-[(2,6-dichlorobenzoyl)oxy]-3-[2-(2,6-dichlorophenyl)-6-quinolinyl]propanoic acid | Patent |
| Manual Xrefs | Databases |
|---|---|
| EP1870402 | Patent |