EMBL-EBI | Chemical Biology | ChEBI
Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search
| Formula | C18H20ClNO5 |
| Net Charge | 0 |
| Average Mass | 365.813 |
| Monoisotopic Mass | 365.10300 |
| SMILES | COCCN1C=C(C(=O)OC)C(c2ccc(Cl)cc2)C(C(=O)OC)=C1 |
| InChI | InChI=1S/C18H20ClNO5/c1-23-9-8-20-10-14(17(21)24-2)16(15(11-20)18(22)25-3)12-4-6-13(19)7-5-12/h4-7,10-11,16H,8-9H2,1-3H3 |
| InChIKey | YIXFNDKDMFPVQV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-(4-chlorophenyl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylic acid dimethyl ester (CHEBI:116403) is a dihydropyridine (CHEBI:50075) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27857 | LINCS |