BOQ
Summary
| Name: | ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate |
| Formula: | C12 H19 N O3 |
| Formal charge: | 0 |
| Formula weight: | 225.284 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | ethyl 2-(aminomethyl)-5-~{tert}-butyl-furan-3-carboxylate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H19NO3/c1-5-15-11(14)8-6-10(12(2,3)4)16-9(8)7-13/h6H,5,7,13H2,1-4H3 |
| InChIKey | InChI | 1.03 | JXCNRNVAFQVPDO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1cc(oc1CN)C(C)(C)C |
| SMILES | CACTVS | 3.385 | CCOC(=O)c1cc(oc1CN)C(C)(C)C |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)c1cc(oc1CN)C(C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)c1cc(oc1CN)C(C)(C)C |
