| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Ic1ccccc1C(NCCC3=Cc2c(ccc(c2NC3=O)OC)OC)=O |
| InChI | InChI | 1.03 | InChI=1S/C20H19IN2O4/c1-26-16-7-8-17(27-2)18-14(16)11-12(19(24)23-18)9-10-22-20(25)13-5-3-4-6-15(13)21/h3-8,11H,9-10H2,1-2H3,(H,22,25)(H,23,24) |
| InChIKey | InChI | 1.03 | RJARQBKOBDUFBP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(OC)c2C=C(CCNC(=O)c3ccccc3I)C(=O)Nc12 |
| SMILES | CACTVS | 3.385 | COc1ccc(OC)c2C=C(CCNC(=O)c3ccccc3I)C(=O)Nc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(c2c1C=C(C(=O)N2)CCNC(=O)c3ccccc3I)OC |
| SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(c2c1C=C(C(=O)N2)CCNC(=O)c3ccccc3I)OC |
