種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C29H24FN3O4/c1-33-25-10-7-20(12-22(25)16-32-33)27(35)19-4-2-3-17(11-19)15-31-29(37)24-13-21(14-26(34)28(24)36)18-5-8-23(30)9-6-18/h2-14,16,27,34-36H,15H2,1H3,(H,31,37)/t27-/m0/s1 |
InChIKey | InChI | 1.03 | AYTCJOWSEKPFCS-MHZLTWQESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc2cc(ccc12)[C@@H](O)c3cccc(CNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)c3 |
SMILES | CACTVS | 3.385 | Cn1ncc2cc(ccc12)[CH](O)c3cccc(CNC(=O)c4cc(cc(O)c4O)c5ccc(F)cc5)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cn1c2ccc(cc2cn1)[C@H](c3cccc(c3)CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O |
SMILES | OpenEye OEToolkits | 2.0.6 | Cn1c2ccc(cc2cn1)C(c3cccc(c3)CNC(=O)c4cc(cc(c4O)O)c5ccc(cc5)F)O |