Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | OCC2CC3N(Cc1ccccc1)CC2(O)C(O)C3O |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H]1C[C@@H]2[C@@H](O)[C@@H](O)[C@@]1(O)CN2Cc3ccccc3 |
SMILES | CACTVS | 3.341 | OC[CH]1C[CH]2[CH](O)[CH](O)[C]1(O)CN2Cc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)C[N@]2C[C@]3([C@H](C[C@@H]2[C@H]([C@H]3O)O)CO)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1ccc(cc1)CN2CC3(C(CC2C(C3O)O)CO)O |
InChI | InChI | 1.03 | InChI=1S/C15H21NO4/c17-8-11-6-12-13(18)14(19)15(11,20)9-16(12)7-10-4-2-1-3-5-10/h1-5,11-14,17-20H,6-9H2/t11-,12-,13-,14-,15-/m1/s1 |
InChIKey | InChI | 1.03 | XOLGFLJPIWWVBX-KJWHEZOQSA-N |