Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | ClC(Cl)C(=O)NC(C(O)c1ccc(N)cc1)CO |
SMILES_CANONICAL | CACTVS | 3.341 | Nc1ccc(cc1)[C@@H](O)[C@@H](CO)NC(=O)C(Cl)Cl |
SMILES | CACTVS | 3.341 | Nc1ccc(cc1)[CH](O)[CH](CO)NC(=O)C(Cl)Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1[C@H]([C@@H](CO)NC(=O)C(Cl)Cl)O)N |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(ccc1C(C(CO)NC(=O)C(Cl)Cl)O)N |
InChI | InChI | 1.03 | InChI=1S/C11H14Cl2N2O3/c12-10(13)11(18)15-8(5-16)9(17)6-1-3-7(14)4-2-6/h1-4,8-10,16-17H,5,14H2,(H,15,18)/t8-,9-/m1/s1 |
InChIKey | InChI | 1.03 | BFLNGKUCFYKCFZ-RKDXNWHRSA-N |