Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OC)C3NCC1(c2c(NC1=O)cccc2)C3 |
InChI | InChI | 1.03 | InChI=1S/C13H14N2O3/c1-18-11(16)10-6-13(7-14-10)8-4-2-3-5-9(8)15-12(13)17/h2-5,10,14H,6-7H2,1H3,(H,15,17)/t10-,13-/m1/s1 |
InChIKey | InChI | 1.03 | WBRZAMFFUKWSQR-ZWNOBZJWSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COC(=O)[C@H]1C[C@]2(CN1)C(=O)Nc3ccccc23 |
SMILES | CACTVS | 3.370 | COC(=O)[CH]1C[C]2(CN1)C(=O)Nc3ccccc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | COC(=O)[C@H]1C[C@@]2(CN1)c3ccccc3NC2=O |
SMILES | OpenEye OEToolkits | 1.7.2 | COC(=O)C1CC2(CN1)c3ccccc3NC2=O |