| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=C(O)C3CC=CC2=Nc1ccccc1NC23 |
| InChI | InChI | 1.03 | InChI=1S/C13H12N2O2/c16-13(17)8-4-3-7-11-12(8)15-10-6-2-1-5-9(10)14-11/h1-3,5-8,12,15H,4H2,(H,16,17)/t8-,12+/m1/s1 |
| InChIKey | InChI | 1.03 | JMGCBMVXHPNSFZ-PELKAZGASA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OC(=O)[C@@H]1CC=CC2=Nc3ccccc3N[C@@H]12 |
| SMILES | CACTVS | 3.370 | OC(=O)[CH]1CC=CC2=Nc3ccccc3N[CH]12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)N[C@H]3[C@@H](CC=CC3=N2)C(=O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc2c(c1)NC3C(CC=CC3=N2)C(=O)O |
