Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C18H17NO3/c20-11-13-10-19(18(21)12-6-2-1-3-7-12)16-14-8-4-5-9-15(14)22-17(13)16/h1-9,13,16-17,20H,10-11H2/t13-,16-,17-/m0/s1 |
InChIKey | InChI | 1.03 | VKQHNAPJGDBELB-JQFCIGGWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC[C@@H]1CN([C@@H]2[C@H]1Oc3ccccc23)C(=O)c4ccccc4 |
SMILES | CACTVS | 3.385 | OC[CH]1CN([CH]2[CH]1Oc3ccccc23)C(=O)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(=O)N2C[C@H]([C@H]3[C@@H]2c4ccccc4O3)CO |
SMILES | OpenEye OEToolkits | 2.0.6 | c1ccc(cc1)C(=O)N2CC(C3C2c4ccccc4O3)CO |