A1EOX
Summary
| Name: | 9-[1-(2-fluoranylethyl)azetidin-3-yl]oxy-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(6),7,9-triene-10-carboxylic acid |
| Formula: | C14 H18 B F N O6 |
| Formal charge: | -1 |
| Formula weight: | 326.105 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 9-[1-(2-fluoranylethyl)azetidin-3-yl]oxy-3,3-bis(oxidanyl)-2-oxa-3-boranuidabicyclo[4.4.0]deca-1(6),7,9-triene-10-carboxylic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C14H18BFNO6/c16-5-6-17-7-10(8-17)22-11-2-1-9-3-4-15(20,21)23-13(9)12(11)14(18)19/h1-2,10,20-21H,3-8H2,(H,18,19)/q-1 |
| InChIKey | InChI | 1.06 | CRBUZTNFLQBTEQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1c(OC2CN(CCF)C2)ccc3CC[B-](O)(O)Oc13 |
| SMILES | CACTVS | 3.385 | OC(=O)c1c(OC2CN(CCF)C2)ccc3CC[B-](O)(O)Oc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | [B-]1(CCc2ccc(c(c2O1)C(=O)O)OC3CN(C3)CCF)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | [B-]1(CCc2ccc(c(c2O1)C(=O)O)OC3CN(C3)CCF)(O)O |
