種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c3c(C(NCCCOCn1c2c(cc1)cncc2)=O)c(O)c(O)cc3c4ccc(cc4)F |
InChI | InChI | 1.03 | InChI=1S/C24H22FN3O4/c25-19-4-2-16(3-5-19)18-12-20(23(30)22(29)13-18)24(31)27-8-1-11-32-15-28-10-7-17-14-26-9-6-21(17)28/h2-7,9-10,12-14,29-30H,1,8,11,15H2,(H,27,31) |
InChIKey | InChI | 1.03 | RWYTVUVWQHASIX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cc(cc(C(=O)NCCCOCn2ccc3cnccc23)c1O)c4ccc(F)cc4 |
SMILES | CACTVS | 3.385 | Oc1cc(cc(C(=O)NCCCOCn2ccc3cnccc23)c1O)c4ccc(F)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCOCn3ccc4c3ccnc4)F |
SMILES | OpenEye OEToolkits | 2.0.5 | c1cc(ccc1c2cc(c(c(c2)O)O)C(=O)NCCCOCn3ccc4c3ccnc4)F |