Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)(C1CCC(CC1)NC(c3cnc2cc(OC(F)F)ccc2c3)=O)O |
InChI | InChI | 1.03 | InChI=1S/C20H24F2N2O3/c1-20(2,26)14-4-6-15(7-5-14)24-18(25)13-9-12-3-8-16(27-19(21)22)10-17(12)23-11-13/h3,8-11,14-15,19,26H,4-7H2,1-2H3,(H,24,25)/t14-,15- |
InChIKey | InChI | 1.03 | YRWMWDLEUYLURJ-SHTZXODSSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(O)[C@H]1CC[C@@H](CC1)NC(=O)c2cnc3cc(OC(F)F)ccc3c2 |
SMILES | CACTVS | 3.385 | CC(C)(O)[CH]1CC[CH](CC1)NC(=O)c2cnc3cc(OC(F)F)ccc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(cc3nc2)OC(F)F)O |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)(C1CCC(CC1)NC(=O)c2cc3ccc(cc3nc2)OC(F)F)O |