JTE
Summary
| Name: | (2~{R})-2-[4-(3,5-dimethylphenyl)-3-fluoranyl-phenyl]propanoic acid |
| Formula: | C17 H17 F O2 |
| Formal charge: | 0 |
| Formula weight: | 272.314 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | (2~{R})-2-[4-(3,5-dimethylphenyl)-3-fluoranyl-phenyl]propanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C17H17FO2/c1-10-6-11(2)8-14(7-10)15-5-4-13(9-16(15)18)12(3)17(19)20/h4-9,12H,1-3H3,(H,19,20)/t12-/m1/s1 |
| InChIKey | InChI | 1.03 | CSCOFCJZZSLCNM-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H](C(O)=O)c1ccc(c(F)c1)c2cc(C)cc(C)c2 |
| SMILES | CACTVS | 3.385 | C[CH](C(O)=O)c1ccc(c(F)c1)c2cc(C)cc(C)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1)c2ccc(cc2F)[C@@H](C)C(=O)O)C |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1)c2ccc(cc2F)C(C)C(=O)O)C |
