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CHEBI:115725 - 4-chlorobenzoic acid [3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] ester
| Formula | C20H13ClN2O3 |
| Net Charge | 0 |
| Average Mass | 364.788 |
| Monoisotopic Mass | 364.06147 |
| SMILES | COc1cccc(-c2ccc(C#N)c(OC(=O)c3ccc(Cl)cc3)n2)c1 |
| InChI | InChI=1S/C20H13ClN2O3/c1-25-17-4-2-3-14(11-17)18-10-7-15(12-22)19(23-18)26-20(24)13-5-8-16(21)9-6-13/h2-11H,1H3 |
| InChIKey | XDFHBSRFYYCUAV-UHFFFAOYSA-N |
| ChEBI Ontology |
|---|
| Outgoing Relation(s) |
| 4-chlorobenzoic acid [3-cyano-6-(3-methoxyphenyl)-2-pyridinyl] ester (CHEBI:115725) is a phenylpyridine (CHEBI:38193) |
| Manual Xrefs | Databases |
|---|---|
| LSM-27182 | LINCS |