FL2
Summary
| Name: | FLURBIPROFEN METHYL ESTER |
| Formula: | C16 H15 F O2 |
| Formal charge: | 0 |
| Formula weight: | 258.288 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 10.04 | methyl (2S)-2-(2-fluorobiphenyl-4-yl)propanoate |
| OpenEye OEToolkits | 1.5.0 | methyl (2S)-2-(3-fluoro-4-phenyl-phenyl)propanoate |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Fc2cc(ccc2c1ccccc1)C(C(=O)OC)C |
| SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)[C@@H](C)c1ccc(c(F)c1)c2ccccc2 |
| SMILES | CACTVS | 3.341 | COC(=O)[CH](C)c1ccc(c(F)c1)c2ccccc2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](c1ccc(c(c1)F)c2ccccc2)C(=O)OC |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(c1ccc(c(c1)F)c2ccccc2)C(=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C16H15FO2/c1-11(16(18)19-2)13-8-9-14(15(17)10-13)12-6-4-3-5-7-12/h3-11H,1-2H3/t11-/m0/s1 |
| InChIKey | InChI | 1.03 | CPJBKHZROFMSQM-NSHDSACASA-N |
