Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C15H16N2O4/c1-2-16-10(18)7-17(15(16)20)11-12(19)14-9-6-4-3-5-8(9)13(11)21-14/h3-6,11-14,19H,2,7H2,1H3/t11-,12-,13-,14+/m0/s1 |
InChIKey | InChI | 1.03 | GHZIAZMBFWRVPL-XDQVBPFNSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCN1C(=O)CN([C@H]2[C@H](O)[C@@H]3O[C@H]2c4ccccc34)C1=O |
SMILES | CACTVS | 3.385 | CCN1C(=O)CN([CH]2[CH](O)[CH]3O[CH]2c4ccccc34)C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCN1C(=O)CN(C1=O)[C@@H]2[C@@H]3c4ccccc4[C@H]([C@H]2O)O3 |
SMILES | OpenEye OEToolkits | 2.0.6 | CCN1C(=O)CN(C1=O)C2C3c4ccccc4C(C2O)O3 |