A1D86
Summary
| Name: | 6-[2-[[2-[4-(trifluoromethyloxy)phenyl]benzimidazol-1-yl]methyl]phenoxy]hexanoic acid |
| Formula: | C27 H25 F3 N2 O4 |
| Formal charge: | 0 |
| Formula weight: | 498.494 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 6-[2-[[2-[4-(trifluoromethyloxy)phenyl]benzimidazol-1-yl]methyl]phenoxy]hexanoic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C27H25F3N2O4/c28-27(29,30)36-21-15-13-19(14-16-21)26-31-22-9-4-5-10-23(22)32(26)18-20-8-3-6-11-24(20)35-17-7-1-2-12-25(33)34/h3-6,8-11,13-16H,1-2,7,12,17-18H2,(H,33,34) |
| InChIKey | InChI | 1.06 | CIJJQZAOSIHXTJ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)CCCCCOc1ccccc1Cn2c3ccccc3nc2c4ccc(OC(F)(F)F)cc4 |
| SMILES | CACTVS | 3.385 | OC(=O)CCCCCOc1ccccc1Cn2c3ccccc3nc2c4ccc(OC(F)(F)F)cc4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)Cn2c3ccccc3nc2c4ccc(cc4)OC(F)(F)F)OCCCCCC(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)Cn2c3ccccc3nc2c4ccc(cc4)OC(F)(F)F)OCCCCCC(=O)O |
