| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(C)(C)N(CCCCC(N)C(=O)O)CCc1ccccc1 |
| InChI | InChI | 1.03 | InChI=1S/C17H28N2O2/c1-14(2)19(12-7-6-10-16(18)17(20)21)13-11-15-8-4-3-5-9-15/h3-5,8-9,14,16H,6-7,10-13,18H2,1-2H3,(H,20,21)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | XGCVHMMQJAIVRH-INIZCTEOSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)N(CCCC[C@H](N)C(O)=O)CCc1ccccc1 |
| SMILES | CACTVS | 3.385 | CC(C)N(CCCC[CH](N)C(O)=O)CCc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)N(CCCC[C@@H](C(=O)O)N)CCc1ccccc1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)N(CCCCC(C(=O)O)N)CCc1ccccc1 |
