| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O(c1ccc(cc1OC)Cc3nccc2cc(OC)c(OC)cc23)C |
| SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC |
| SMILES | CACTVS | 3.352 | COc1ccc(Cc2nccc3cc(OC)c(OC)cc23)cc1OC |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)OC)OC |
| SMILES | OpenEye OEToolkits | 1.6.1 | COc1ccc(cc1OC)Cc2c3cc(c(cc3ccn2)OC)OC |
| InChI | InChI | 1.03 | InChI=1S/C20H21NO4/c1-22-17-6-5-13(10-18(17)23-2)9-16-15-12-20(25-4)19(24-3)11-14(15)7-8-21-16/h5-8,10-12H,9H2,1-4H3 |
| InChIKey | InChI | 1.03 | XQYZDYMELSJDRZ-UHFFFAOYSA-N |
