| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | N=2c1ccccc1C(N(C=2)CC(=O)CC3NCCCC3O)=O |
| InChI | InChI | 1.03 | InChI=1S/C16H19N3O3/c20-11(8-14-15(21)6-3-7-17-14)9-19-10-18-13-5-2-1-4-12(13)16(19)22/h1-2,4-5,10,14-15,17,21H,3,6-9H2/t14-,15+/m1/s1 |
| InChIKey | InChI | 1.03 | FWVHWDSCPKXMDB-CABCVRRESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CCCN[C@@H]1CC(=O)CN2C=Nc3ccccc3C2=O |
| SMILES | CACTVS | 3.385 | O[CH]1CCCN[CH]1CC(=O)CN2C=Nc3ccccc3C2=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)N(C=N2)CC(=O)C[C@@H]3[C@H](CCCN3)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc2c(c1)C(=O)N(C=N2)CC(=O)CC3C(CCCN3)O |
