QL5
Summary
| Name: | (2,5-dimethylphenyl) pyridine-4-carboxylate |
| Formula: | C14 H13 N O2 |
| Formal charge: | 0 |
| Formula weight: | 227.259 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2,5-dimethylphenyl) pyridine-4-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C14H13NO2/c1-10-3-4-11(2)13(9-10)17-14(16)12-5-7-15-8-6-12/h3-9H,1-2H3 |
| InChIKey | InChI | 1.03 | MMVMRVVLUMIUAF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(C)c(OC(=O)c2ccncc2)c1 |
| SMILES | CACTVS | 3.385 | Cc1ccc(C)c(OC(=O)c2ccncc2)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)OC(=O)c2ccncc2)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)OC(=O)c2ccncc2)C |
