Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N2(CCN(C(c1ccc(Cl)o1)=O)CC2)C(NCCOC)=O |
InChI | InChI | 1.03 | InChI=1S/C13H18ClN3O4/c1-20-9-4-15-13(19)17-7-5-16(6-8-17)12(18)10-2-3-11(14)21-10/h2-3H,4-9H2,1H3,(H,15,19) |
InChIKey | InChI | 1.03 | VHIWNIAUJINVEH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COCCNC(=O)N1CCN(CC1)C(=O)c2oc(Cl)cc2 |
SMILES | CACTVS | 3.385 | COCCNC(=O)N1CCN(CC1)C(=O)c2oc(Cl)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COCCNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | COCCNC(=O)N1CCN(CC1)C(=O)c2ccc(o2)Cl |