NXK
Summary
Name: | 2-(2-((3-boronobenzyl)carbamoyl)-5-fluorophenoxy)acetic acid |
Synonyms: | 2-[2-[[3-(dihydroxyboranyl)cyclohexyl]methylcarbamoyl]-5-fluoranyl-phenoxy]ethanoic acid |
Formula: | C16 H15 B F N O6 |
Formal charge: | 0 |
Formula weight: | 347.103 Da |
Component type: | non-polymer |
Chemical Identifiers
Program | Version | Name |
OpenEye OEToolkits | 2.0.7 | 2-[2-[[3-(dihydroxyboranyl)phenyl]methylcarbamoyl]-5-fluoranyl-phenoxy]ethanoic acid |
Chemical Descriptors
Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C16H15BFNO6/c18-12-4-5-13(14(7-12)25-9-15(20)21)16(22)19-8-10-2-1-3-11(6-10)17(23)24/h1-7,23-24H,8-9H2,(H,19,22)(H,20,21) |
InChIKey | InChI | 1.03 | ONNIFGAKNSCDLR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OB(O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1 |
SMILES | CACTVS | 3.385 | OB(O)c1cccc(CNC(=O)c2ccc(F)cc2OCC(O)=O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B(c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)(O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | B(c1cccc(c1)CNC(=O)c2ccc(cc2OCC(=O)O)F)(O)O |