DZQ
Summary
| Name: | Olodaterol |
| Synonyms: | 868049-49-4 |
| Formula: | C21 H26 N2 O5 |
| Formal charge: | 0 |
| Formula weight: | 386.442 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 8-[(1~{R})-2-[[1-(4-methoxyphenyl)-2-methyl-propan-2-yl]amino]-1-oxidanyl-ethyl]-6-oxidanyl-4~{H}-1,4-benzoxazin-3-one |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C21H26N2O5/c1-21(2,10-13-4-6-15(27-3)7-5-13)22-11-18(25)16-8-14(24)9-17-20(16)28-12-19(26)23-17/h4-9,18,22,24-25H,10-12H2,1-3H3,(H,23,26)/t18-/m0/s1 |
| InChIKey | InChI | 1.06 | COUYJEVMBVSIHV-SFHVURJKSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CC(C)(C)NC[C@H](O)c2cc(O)cc3NC(=O)COc23)cc1 |
| SMILES | CACTVS | 3.385 | COc1ccc(CC(C)(C)NC[CH](O)c2cc(O)cc3NC(=O)COc23)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(Cc1ccc(cc1)OC)NC[C@@H](c2cc(cc3c2OCC(=O)N3)O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(Cc1ccc(cc1)OC)NCC(c2cc(cc3c2OCC(=O)N3)O)O |
