| Type | Program | Version | Descriptor |
| SMILES_CANONICAL | CACTVS | 3.352 | CCC[C@H](C(O)=O)c1c(C)nc2ccc(Cl)cc2c1c3ccccc3 |
| SMILES | CACTVS | 3.352 | CCC[CH](C(O)=O)c1c(C)nc2ccc(Cl)cc2c1c3ccccc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CCC[C@@H](c1c(nc2ccc(cc2c1c3ccccc3)Cl)C)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | CCCC(c1c(nc2ccc(cc2c1c3ccccc3)Cl)C)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C21H20ClNO2/c1-3-7-16(21(24)25)19-13(2)23-18-11-10-15(22)12-17(18)20(19)14-8-5-4-6-9-14/h4-6,8-12,16H,3,7H2,1-2H3,(H,24,25)/t16-/m0/s1 |
| InChIKey | InChI | 1.03 | XRPUJSGGRFQZPJ-INIZCTEOSA-N |
