Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(N1CC2CC3CC(O)C(O)C2(C1)O3)C1CCC1 |
InChI | InChI | 1.06 | InChI=1S/C14H21NO4/c16-11-5-10-4-9-6-15(13(18)8-2-1-3-8)7-14(9,19-10)12(11)17/h8-12,16-17H,1-7H2/t9-,10-,11?,12?,14+/m0/s1 |
InChIKey | InChI | 1.06 | BYVLFJJVWOHEND-JCCXBDGPSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | O[C@@H]1C[C@@H]2C[C@H]3CN(C[C@]3(O2)[C@@H]1O)C(=O)C4CCC4 |
SMILES | CACTVS | 3.385 | O[CH]1C[CH]2C[CH]3CN(C[C]3(O2)[CH]1O)C(=O)C4CCC4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C1CC(C1)C(=O)N2C[C@@H]3C[C@H]4CC(C([C@]3(C2)O4)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | C1CC(C1)C(=O)N2CC3CC4CC(C(C3(C2)O4)O)O |