Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C2(C(C(N1CCN(CC1)C)=O)C3CCC2O3)C(O)=O |
InChI | InChI | 1.03 | InChI=1S/C13H20N2O4/c1-14-4-6-15(7-5-14)12(16)10-8-2-3-9(19-8)11(10)13(17)18/h8-11H,2-7H2,1H3,(H,17,18)/t8-,9+,10-,11+/m1/s1 |
InChIKey | InChI | 1.03 | JUQMLSGOTNKJKI-YTWAJWBKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)C(=O)[C@@H]2[C@H]3CC[C@H](O3)[C@@H]2C(O)=O |
SMILES | CACTVS | 3.385 | CN1CCN(CC1)C(=O)[CH]2[CH]3CC[CH](O3)[CH]2C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)C(=O)[C@@H]2[C@H]3CC[C@@H]([C@@H]2C(=O)O)O3 |
SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)C(=O)C2C3CCC(C2C(=O)O)O3 |