| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(O)CCNC(=O)C3(C#N)c1c(cccc1)N(c2c3cccc2)C |
| SMILES_CANONICAL | CACTVS | 3.341 | CN1c2ccccc2C(C#N)(C(=O)NCCC(O)=O)c3ccccc13 |
| SMILES | CACTVS | 3.341 | CN1c2ccccc2C(C#N)(C(=O)NCCC(O)=O)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CN1c2ccccc2C(c3c1cccc3)(C#N)C(=O)NCCC(=O)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | CN1c2ccccc2C(c3c1cccc3)(C#N)C(=O)NCCC(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C19H17N3O3/c1-22-15-8-4-2-6-13(15)19(12-20,14-7-3-5-9-16(14)22)18(25)21-11-10-17(23)24/h2-9H,10-11H2,1H3,(H,21,25)(H,23,24) |
| InChIKey | InChI | 1.03 | FRBAOMHMZCGBOJ-UHFFFAOYSA-N |
