| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N1C(C(O)=O)C(CC1)c2cc(cc(c2)O)C(O)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H13NO5/c14-8-4-6(3-7(5-8)11(15)16)9-1-2-13-10(9)12(17)18/h3-5,9-10,13-14H,1-2H2,(H,15,16)(H,17,18)/t9-,10+/m1/s1 |
| InChIKey | InChI | 1.03 | RMJSXKKIOKMPOU-ZJUUUORDSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1NCC[C@@H]1c2cc(O)cc(c2)C(O)=O |
| SMILES | CACTVS | 3.385 | OC(=O)[CH]1NCC[CH]1c2cc(O)cc(c2)C(O)=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1c(cc(cc1C(=O)O)O)[C@H]2CCN[C@@H]2C(=O)O |
| SMILES | OpenEye OEToolkits | 1.9.2 | c1c(cc(cc1C(=O)O)O)C2CCNC2C(=O)O |
