Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C23H19Cl2N3O4/c24-16-6-12(8-18(27)23(29)30)7-17(25)21(16)31-11-14-9-15(26)10-19-20(14)32-22(28-19)13-4-2-1-3-5-13/h1-7,9-10,18H,8,11,26-27H2,(H,29,30)/t18-/m0/s1 |
InChIKey | InChI | 1.06 | XNRZJPQTMQZBCE-SFHVURJKSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[C@@H](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)c4ccccc4)c(Cl)c1)C(O)=O |
SMILES | CACTVS | 3.385 | N[CH](Cc1cc(Cl)c(OCc2cc(N)cc3nc(oc23)c4ccccc4)c(Cl)c1)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc3cc(cc(c3o2)COc4c(cc(cc4Cl)C[C@@H](C(=O)O)N)Cl)N |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2nc3cc(cc(c3o2)COc4c(cc(cc4Cl)CC(C(=O)O)N)Cl)N |