5QB
Summary
| Name: | ~{N}-[(2,6-dimethoxyphenyl)methyl]ethanamide |
| Formula: | C11 H15 N O3 |
| Formal charge: | 0 |
| Formula weight: | 209.242 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.4 | ~{N}-[(2,6-dimethoxyphenyl)methyl]ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C11H15NO3/c1-8(13)12-7-9-10(14-2)5-4-6-11(9)15-3/h4-6H,7H2,1-3H3,(H,12,13) |
| InChIKey | InChI | 1.03 | KOFRPILEEFGDBE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(OC)c1CNC(C)=O |
| SMILES | CACTVS | 3.385 | COc1cccc(OC)c1CNC(C)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | CC(=O)NCc1c(cccc1OC)OC |
| SMILES | OpenEye OEToolkits | 2.0.4 | CC(=O)NCc1c(cccc1OC)OC |
