| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C#CCCCCCCCCC(=O)Nc1ccc(cc1)N(NC(=O)OC)C=O |
| InChI | InChI | 1.06 | InChI=1S/C20H27N3O4/c1-3-4-5-6-7-8-9-10-11-19(25)21-17-12-14-18(15-13-17)23(16-24)22-20(26)27-2/h1,12-16H,4-11H2,2H3,(H,21,25)(H,22,26) |
| InChIKey | InChI | 1.06 | DVKLBCMFIZWEBE-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)NN(C=O)c1ccc(NC(=O)CCCCCCCCC#C)cc1 |
| SMILES | CACTVS | 3.385 | COC(=O)NN(C=O)c1ccc(NC(=O)CCCCCCCCC#C)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COC(=O)NN(C=O)c1ccc(cc1)NC(=O)CCCCCCCCC#C |
| SMILES | OpenEye OEToolkits | 2.0.7 | COC(=O)NN(C=O)c1ccc(cc1)NC(=O)CCCCCCCCC#C |
