| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OC(=O)c1ccccc1NC(=O)C(C#N)Cc2cc(ccc2)NC(c3ccc(cc3)C)=O |
| InChI | InChI | 1.03 | InChI=1S/C25H21N3O4/c1-16-9-11-18(12-10-16)23(29)27-20-6-4-5-17(14-20)13-19(15-26)24(30)28-22-8-3-2-7-21(22)25(31)32/h2-12,14,19H,13H2,1H3,(H,27,29)(H,28,30)(H,31,32)/t19-/m0/s1 |
| InChIKey | InChI | 1.03 | HDTWPJOTTCXUOT-IBGZPJMESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)C(=O)Nc2cccc(C[C@@H](C#N)C(=O)Nc3ccccc3C(O)=O)c2 |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)C(=O)Nc2cccc(C[CH](C#N)C(=O)Nc3ccccc3C(O)=O)c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C(=O)Nc2cccc(c2)C[C@@H](C#N)C(=O)Nc3ccccc3C(=O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)C(=O)Nc2cccc(c2)CC(C#N)C(=O)Nc3ccccc3C(=O)O |
