A1L3G
Summary
| Name: | 2-[[(1~{R})-4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1~{H}-inden-1-yl]amino]ethanol |
| Formula: | C23 H27 N3 O4 |
| Formal charge: | 0 |
| Formula weight: | 409.478 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 2-[[(1~{R})-4-[5-(3,4-diethoxyphenyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1~{H}-inden-1-yl]amino]ethanol |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C23H27N3O4/c1-3-28-20-11-8-15(14-21(20)29-4-2)23-25-22(26-30-23)18-7-5-6-17-16(18)9-10-19(17)24-12-13-27/h5-8,11,14,19,24,27H,3-4,9-10,12-13H2,1-2H3/t19-/m1/s1 |
| InChIKey | InChI | 1.06 | NUIKTBLZSPQGCP-LJQANCHMSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CCOc1ccc(cc1OCC)c2onc(n2)c3cccc4[C@@H](CCc34)NCCO |
| SMILES | CACTVS | 3.385 | CCOc1ccc(cc1OCC)c2onc(n2)c3cccc4[CH](CCc34)NCCO |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(cc1OCC)c2nc(no2)c3cccc4c3CC[C@H]4NCCO |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCOc1ccc(cc1OCC)c2nc(no2)c3cccc4c3CCC4NCCO |
