Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(NC1(COC1)c1ccc(Cl)cc1)c1ccc(cc1)N1CCC(O)C1 |
InChI | InChI | 1.06 | InChI=1S/C20H21ClN2O3/c21-16-5-3-15(4-6-16)20(12-26-13-20)22-19(25)14-1-7-17(8-2-14)23-10-9-18(24)11-23/h1-8,18,24H,9-13H2,(H,22,25)/t18-/m0/s1 |
InChIKey | InChI | 1.06 | XRPYHXDCSXOQDK-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@H]1CCN(C1)c2ccc(cc2)C(=O)NC3(COC3)c4ccc(Cl)cc4 |
SMILES | CACTVS | 3.385 | O[CH]1CCN(C1)c2ccc(cc2)C(=O)NC3(COC3)c4ccc(Cl)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)NC2(COC2)c3ccc(cc3)Cl)N4CC[C@@H](C4)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1C(=O)NC2(COC2)c3ccc(cc3)Cl)N4CCC(C4)O |