Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(O)C1CCN(c2ccccc2)C1COc1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C18H19NO3/c20-18(21)16-11-12-19(14-7-3-1-4-8-14)17(16)13-22-15-9-5-2-6-10-15/h1-10,16-17H,11-13H2,(H,20,21)/t16-,17-/m0/s1 |
InChIKey | InChI | 1.06 | ZUZAMWXPEJPXLO-IRXDYDNUSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)[C@H]1CCN([C@H]1COc2ccccc2)c3ccccc3 |
SMILES | CACTVS | 3.385 | OC(=O)[CH]1CCN([CH]1COc2ccccc2)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2CC[C@@H]([C@@H]2COc3ccccc3)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)N2CCC(C2COc3ccccc3)C(=O)O |