JV3
Summary
| Name: | methyl 3-pyridin-4-ylbenzoate |
| Formula: | C13 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 213.232 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl 3-pyridin-4-ylbenzoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C13H11NO2/c1-16-13(15)12-4-2-3-11(9-12)10-5-7-14-8-6-10/h2-9H,1H3 |
| InChIKey | InChI | 1.06 | OURDGCXMAZZEBC-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1cccc(c1)c2ccncc2 |
| SMILES | CACTVS | 3.385 | COC(=O)c1cccc(c1)c2ccncc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1cccc(c1)c2ccncc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1cccc(c1)c2ccncc2 |
