Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(OC1C(NCC1O)Cc2ccc(OC)cc2)C |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(C[C@H]2NC[C@H](O)[C@H]2OC(C)=O)cc1 |
SMILES | CACTVS | 3.341 | COc1ccc(C[CH]2NC[CH](O)[CH]2OC(C)=O)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(=O)O[C@@H]1[C@H](CN[C@@H]1Cc2ccc(cc2)OC)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(=O)OC1C(CNC1Cc2ccc(cc2)OC)O |
InChI | InChI | 1.03 | InChI=1S/C14H19NO4/c1-9(16)19-14-12(15-8-13(14)17)7-10-3-5-11(18-2)6-4-10/h3-6,12-15,17H,7-8H2,1-2H3/t12-,13+,14+/m1/s1 |
InChIKey | InChI | 1.03 | YKJYKKNCCRKFSL-RDBSUJKOSA-N |