A1ENN
Summary
| Name: | 2-(2-bromanyl-4-propan-2-yl-phenoxy)-~{N}-(2,2,6,6-tetramethylpiperidin-4-yl)ethanamide |
| Formula: | C20 H31 Br N2 O2 |
| Formal charge: | 0 |
| Formula weight: | 411.376 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-(2-bromanyl-4-propan-2-yl-phenoxy)-~{N}-(2,2,6,6-tetramethylpiperidin-4-yl)ethanamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C20H31BrN2O2/c1-13(2)14-7-8-17(16(21)9-14)25-12-18(24)22-15-10-19(3,4)23-20(5,6)11-15/h7-9,13,15,23H,10-12H2,1-6H3,(H,22,24) |
| InChIKey | InChI | 1.06 | OTTDLWFVHQYRDA-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)c1ccc(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)c(Br)c1 |
| SMILES | CACTVS | 3.385 | CC(C)c1ccc(OCC(=O)NC2CC(C)(C)NC(C)(C)C2)c(Br)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)c1ccc(c(c1)Br)OCC(=O)NC2CC(NC(C2)(C)C)(C)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)c1ccc(c(c1)Br)OCC(=O)NC2CC(NC(C2)(C)C)(C)C |
