0OM
Summary
| Name: | benzyl pyridine-3-carboxylate |
| Synonyms: | Benzyl nicotinate |
| Formula: | C13 H11 N O2 |
| Formal charge: | 0 |
| Formula weight: | 213.232 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | benzyl pyridine-3-carboxylate |
| OpenEye OEToolkits | 1.7.6 | (phenylmethyl) pyridine-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(OCc1ccccc1)c2cccnc2 |
| InChI | InChI | 1.03 | InChI=1S/C13H11NO2/c15-13(12-7-4-8-14-9-12)16-10-11-5-2-1-3-6-11/h1-9H,10H2 |
| InChIKey | InChI | 1.03 | KVYGGMBOZFWZBQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | O=C(OCc1ccccc1)c2cccnc2 |
| SMILES | CACTVS | 3.370 | O=C(OCc1ccccc1)c2cccnc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)COC(=O)c2cccnc2 |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)COC(=O)c2cccnc2 |
