A1EGG
Summary
| Name: | 1-[1-[2-(3,5-dimethoxyphenyl)ethanoyl]piperidin-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea |
| Formula: | C24 H28 F3 N3 O5 |
| Formal charge: | 0 |
| Formula weight: | 495.491 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | 1-[1-[2-(3,5-dimethoxyphenyl)ethanoyl]piperidin-4-yl]-3-[[4-(trifluoromethyloxy)phenyl]methyl]urea |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C24H28F3N3O5/c1-33-20-11-17(12-21(14-20)34-2)13-22(31)30-9-7-18(8-10-30)29-23(32)28-15-16-3-5-19(6-4-16)35-24(25,26)27/h3-6,11-12,14,18H,7-10,13,15H2,1-2H3,(H2,28,29,32) |
| InChIKey | InChI | 1.06 | DDXPKIOYYDTQLO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(CC(=O)N2CCC(CC2)NC(=O)NCc3ccc(OC(F)(F)F)cc3)cc(OC)c1 |
| SMILES | CACTVS | 3.385 | COc1cc(CC(=O)N2CCC(CC2)NC(=O)NCc3ccc(OC(F)(F)F)cc3)cc(OC)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1)OC)CC(=O)N2CCC(CC2)NC(=O)NCc3ccc(cc3)OC(F)(F)F |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1cc(cc(c1)OC)CC(=O)N2CCC(CC2)NC(=O)NCc3ccc(cc3)OC(F)(F)F |
