Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OC2C(c1ccc(N)cc1)NC(CO)C2O |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1ccc(cc1)[C@@H]2N[C@H](CO)[C@@H](O)[C@H]2O |
SMILES | CACTVS | 3.341 | Nc1ccc(cc1)[CH]2N[CH](CO)[CH](O)[CH]2O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[C@H]2[C@@H]([C@@H]([C@H](N2)CO)O)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C2C(C(C(N2)CO)O)O)N |
InChI | InChI | 1.03 | InChI=1S/C11H16N2O3/c12-7-3-1-6(2-4-7)9-11(16)10(15)8(5-14)13-9/h1-4,8-11,13-16H,5,12H2/t8-,9+,10-,11+/m1/s1 |
InChIKey | InChI | 1.03 | SQENVZNKXLCDLF-YTWAJWBKSA-N |