EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
CHEBI:94432 - 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-propan-2-yl ester
| Formula | C19H21N3O5 |
| Net Charge | 0 |
| Average Mass | 371.393 |
| Monoisotopic Mass | 371.14812 |
| SMILES | COC(=O)C1C(C)=NC(C)=C(C(=O)OC(C)C)C1c1cccc2nonc12 |
| InChI | InChI=1S/C19H21N3O5/c1-9(2)26-19(24)15-11(4)20-10(3)14(18(23)25-5)16(15)12-7-6-8-13-17(12)22-27-21-13/h6-9,14,16H,1-5H3 |
| InChIKey | QVGAECMHUSHDCG-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-propan-2-yl ester (CHEBI:94432) is a benzoxadiazole (CHEBI:46829) |
| 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-propan-2-yl ester (CHEBI:94432) is a isopropyl ester (CHEBI:35725) |
| 4-(2,1,3-benzoxadiazol-4-yl)-2,6-dimethyl-3,4-dihydropyridine-3,5-dicarboxylic acid O3-methyl ester O5-propan-2-yl ester (CHEBI:94432) is a methyl ester (CHEBI:25248) |
| Manual Xrefs | Databases |
|---|---|
| LSM-5130 | LINCS |