OJM
Summary
| Name: | ethyl 3-[4-(hydroxymethyl)-1H-imidazol-2-yl]propanoate |
| Formula: | C9 H14 N2 O3 |
| Formal charge: | 0 |
| Formula weight: | 198.219 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | ethyl 3-[4-(hydroxymethyl)-1H-imidazol-2-yl]propanoate |
| OpenEye OEToolkits | 2.0.7 | ethyl 3-[4-(hydroxymethyl)-1~{H}-imidazol-2-yl]propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c1c(nc(CCC(=O)OCC)n1)CO |
| InChI | InChI | 1.03 | InChI=1S/C9H14N2O3/c1-2-14-9(13)4-3-8-10-5-7(6-12)11-8/h5,12H,2-4,6H2,1H3,(H,10,11) |
| InChIKey | InChI | 1.03 | VCUVTHVKVNCVGZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)CCc1[nH]cc(CO)n1 |
| SMILES | CACTVS | 3.385 | CCOC(=O)CCc1[nH]cc(CO)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOC(=O)CCc1[nH]cc(n1)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOC(=O)CCc1[nH]cc(n1)CO |
