A1EOK
Summary
| Name: | 7-[1-(2-fluoranylethyl)azetidin-3-yl]oxy-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid |
| Formula: | C14 H17 B F N O5 |
| Formal charge: | 0 |
| Formula weight: | 309.098 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 7-[1-(2-fluoranylethyl)azetidin-3-yl]oxy-2-oxidanyl-3,4-dihydro-1,2-benzoxaborinine-8-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H17BFNO5/c16-5-6-17-7-10(8-17)21-11-2-1-9-3-4-15(20)22-13(9)12(11)14(18)19/h1-2,10,20H,3-8H2,(H,18,19) |
| InChIKey | InChI | 1.06 | MWTHZUDXLDLHKV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB1CCc2ccc(OC3CN(CCF)C3)c(C(O)=O)c2O1 |
| SMILES | CACTVS | 3.385 | OB1CCc2ccc(OC3CN(CCF)C3)c(C(O)=O)c2O1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1(CCc2ccc(c(c2O1)C(=O)O)OC3CN(C3)CCF)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1(CCc2ccc(c(c2O1)C(=O)O)OC3CN(C3)CCF)O |
