OGB
Summary
| Name: | methyl isoquinoline-5-carboxylate |
| Formula: | C11 H9 N O2 |
| Formal charge: | 0 |
| Formula weight: | 187.195 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | methyl isoquinoline-5-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H9NO2/c1-14-11(13)10-4-2-3-8-7-12-6-5-9(8)10/h2-7H,1H3 |
| InChIKey | InChI | 1.03 | AYIKNXKAUAUIBW-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1cccc2cnccc12 |
| SMILES | CACTVS | 3.385 | COC(=O)c1cccc2cnccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)c1cccc2c1ccnc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)c1cccc2c1ccnc2 |
