| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c1(c(C#N)ccc(c1)CC(NC2(CCCCC2)C(O)=O)=O)C3CC3 |
| InChI | InChI | 1.03 | InChI=1S/C19H22N2O3/c20-12-15-5-4-13(10-16(15)14-6-7-14)11-17(22)21-19(18(23)24)8-2-1-3-9-19/h4-5,10,14H,1-3,6-9,11H2,(H,21,22)(H,23,24) |
| InChIKey | InChI | 1.03 | XZXSSWDGVSHUNZ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1(CCCCC1)NC(=O)Cc2ccc(C#N)c(c2)C3CC3 |
| SMILES | CACTVS | 3.385 | OC(=O)C1(CCCCC1)NC(=O)Cc2ccc(C#N)c(c2)C3CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CC(=O)NC2(CCCCC2)C(=O)O)C3CC3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CC(=O)NC2(CCCCC2)C(=O)O)C3CC3)C#N |
