Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n1cc(cc2NC(=O)CN(c12)C(NC(c3cc(c(cc3)OC(F)(F)F)F)COC)=O)OC |
InChI | InChI | 1.03 | InChI=1S/C19H18F4N4O5/c1-30-9-14(10-3-4-15(12(20)5-10)32-19(21,22)23)26-18(29)27-8-16(28)25-13-6-11(31-2)7-24-17(13)27/h3-7,14H,8-9H2,1-2H3,(H,25,28)(H,26,29)/t14-/m1/s1 |
InChIKey | InChI | 1.03 | AWJSRXUQLSPAOI-CQSZACIVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COC[C@@H](NC(=O)N1CC(=O)Nc2cc(OC)cnc12)c3ccc(OC(F)(F)F)c(F)c3 |
SMILES | CACTVS | 3.385 | COC[CH](NC(=O)N1CC(=O)Nc2cc(OC)cnc12)c3ccc(OC(F)(F)F)c(F)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COC[C@H](c1ccc(c(c1)F)OC(F)(F)F)NC(=O)N2CC(=O)Nc3c2ncc(c3)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | COCC(c1ccc(c(c1)F)OC(F)(F)F)NC(=O)N2CC(=O)Nc3c2ncc(c3)OC |