| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C(=O)(c1cnc(cc1)Oc2ccccc2)NC(C(=O)O)CC(C)(C)C |
| InChI | InChI | 1.03 | InChI=1S/C19H22N2O4/c1-19(2,3)11-15(18(23)24)21-17(22)13-9-10-16(20-12-13)25-14-7-5-4-6-8-14/h4-10,12,15H,11H2,1-3H3,(H,21,22)(H,23,24)/t15-/m0/s1 |
| InChIKey | InChI | 1.03 | DASSWHWKVPKLEB-HNNXBMFYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C)C[C@H](NC(=O)c1ccc(Oc2ccccc2)nc1)C(O)=O |
| SMILES | CACTVS | 3.385 | CC(C)(C)C[CH](NC(=O)c1ccc(Oc2ccccc2)nc1)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C)C[C@@H](C(=O)O)NC(=O)c1ccc(nc1)Oc2ccccc2 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C)CC(C(=O)O)NC(=O)c1ccc(nc1)Oc2ccccc2 |
