Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CCN(C(=O)Nc2ccc(OC)cc2)C(C)C1)c1ccoc1 |
InChI | InChI | 1.06 | InChI=1S/C18H21N3O4/c1-13-11-20(17(22)14-7-10-25-12-14)8-9-21(13)18(23)19-15-3-5-16(24-2)6-4-15/h3-7,10,12-13H,8-9,11H2,1-2H3,(H,19,23)/t13-/m1/s1 |
InChIKey | InChI | 1.06 | FLLJHTLLVKMXOG-CYBMUJFWSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(NC(=O)N2CCN(C[C@@H]2C)C(=O)c3cocc3)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(NC(=O)N2CCN(C[CH]2C)C(=O)c3cocc3)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1CN(CCN1C(=O)Nc2ccc(cc2)OC)C(=O)c3ccoc3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1CN(CCN1C(=O)Nc2ccc(cc2)OC)C(=O)c3ccoc3 |