Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C22H22F3N3O5/c1-13-9-15(10-14(2)18(13)33-21(3,4)19(29)30)11-28-20(31)27(12-26-28)16-5-7-17(8-6-16)32-22(23,24)25/h5-10,12H,11H2,1-4H3,(H,29,30) |
InChIKey | InChI | 1.03 | IUEFKAHLCBNPMM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(CN2N=CN(C2=O)c3ccc(OC(F)(F)F)cc3)cc(C)c1OC(C)(C)C(O)=O |
SMILES | CACTVS | 3.385 | Cc1cc(CN2N=CN(C2=O)c3ccc(OC(F)(F)F)cc3)cc(C)c1OC(C)(C)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1OC(C)(C)C(=O)O)C)CN2C(=O)N(C=N2)c3ccc(cc3)OC(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1OC(C)(C)C(=O)O)C)CN2C(=O)N(C=N2)c3ccc(cc3)OC(F)(F)F |