Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN1C2CC(CC1C(O)C2)OC(=O)C(CO)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C17H23NO4/c1-18-12-7-13(9-15(18)16(20)8-12)22-17(21)14(10-19)11-5-3-2-4-6-11/h2-6,12-16,19-20H,7-10H2,1H3/t12-,13-,14+,15+,16-/m0/s1 |
InChIKey | InChI | 1.03 | WTQYWNWRJNXDEG-RBZJEDDUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1[C@@H]2C[C@H](O)[C@H]1C[C@H](C2)OC(=O)[C@H](CO)c3ccccc3 |
SMILES | CACTVS | 3.385 | CN1[CH]2C[CH](O)[CH]1C[CH](C2)OC(=O)[CH](CO)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN1[C@H]2C[C@@H](C[C@@H]1[C@H](C2)O)OC(=O)[C@H](CO)c3ccccc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CN1C2CC(CC1C(C2)O)OC(=O)C(CO)c3ccccc3 |