Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(=O)N1NC(CC1c1ccco1)c1ccc(C)o1 |
InChI | InChI | 1.06 | InChI=1S/C14H16N2O3/c1-9-5-6-13(19-9)11-8-12(14-4-3-7-18-14)16(15-11)10(2)17/h3-7,11-12,15H,8H2,1-2H3/t11-,12-/m1/s1 |
InChIKey | InChI | 1.06 | PRJVEKCLDLKKGJ-VXGBXAGGSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(=O)N1N[C@H](C[C@@H]1c2occc2)c3oc(C)cc3 |
SMILES | CACTVS | 3.385 | CC(=O)N1N[CH](C[CH]1c2occc2)c3oc(C)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(o1)C2C[C@@H](N(N2)C(=O)C)c3ccco3 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(o1)C2CC(N(N2)C(=O)C)c3ccco3 |