OGM
Summary
| Name: | methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate |
| Formula: | C10 H17 N3 O3 |
| Formal charge: | 0 |
| Formula weight: | 227.26 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | methyl {4-[5-(hydroxymethyl)-1H-imidazol-2-yl]butyl}carbamate |
| OpenEye OEToolkits | 2.0.7 | methyl ~{N}-[4-[5-(hydroxymethyl)-1~{H}-imidazol-2-yl]butyl]carbamate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | COC(=O)NCCCCc1nc(CO)cn1 |
| InChI | InChI | 1.03 | InChI=1S/C10H17N3O3/c1-16-10(15)11-5-3-2-4-9-12-6-8(7-14)13-9/h6,14H,2-5,7H2,1H3,(H,11,15)(H,12,13) |
| InChIKey | InChI | 1.03 | FLDJBEVUBLZUEF-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)NCCCCc1[nH]c(CO)cn1 |
| SMILES | CACTVS | 3.385 | COC(=O)NCCCCc1[nH]c(CO)cn1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)NCCCCc1[nH]c(cn1)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)NCCCCc1[nH]c(cn1)CO |
