| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=C(C1=C(C(=O)O)CCC1)Nc3c(F)cc(c2cccc(OC(F)(F)F)c2)cc3F |
| SMILES_CANONICAL | CACTVS | 3.341 | OC(=O)C1=C(CCC1)C(=O)Nc2c(F)cc(cc2F)c3cccc(OC(F)(F)F)c3 |
| SMILES | CACTVS | 3.341 | OC(=O)C1=C(CCC1)C(=O)Nc2c(F)cc(cc2F)c3cccc(OC(F)(F)F)c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O)F |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(cc(c1)OC(F)(F)F)c2cc(c(c(c2)F)NC(=O)C3=C(CCC3)C(=O)O)F |
| InChI | InChI | 1.03 | InChI=1S/C20H14F5NO4/c21-15-8-11(10-3-1-4-12(7-10)30-20(23,24)25)9-16(22)17(15)26-18(27)13-5-2-6-14(13)19(28)29/h1,3-4,7-9H,2,5-6H2,(H,26,27)(H,28,29) |
| InChIKey | InChI | 1.03 | VTGXLCZUWFYELR-UHFFFAOYSA-N |
