Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc1ccc(cc1Cl)C(O[Si](C(C)C)(C(C)C)C(C)C)C(N)C(=O)O |
InChI | InChI | 1.06 | InChI=1S/C18H30ClNO4Si/c1-10(2)25(11(3)4,12(5)6)24-17(16(20)18(22)23)13-7-8-15(21)14(19)9-13/h7-12,16-17,21H,20H2,1-6H3,(H,22,23)/t16-,17+/m0/s1 |
InChIKey | InChI | 1.06 | FNRYKHQDTZHUJG-DLBZAZTESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[Si](O[C@@H]([C@H](N)C(O)=O)c1ccc(O)c(Cl)c1)(C(C)C)C(C)C |
SMILES | CACTVS | 3.385 | CC(C)[Si](O[CH]([CH](N)C(O)=O)c1ccc(O)c(Cl)c1)(C(C)C)C(C)C |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[Si](C(C)C)(C(C)C)O[C@H](c1ccc(c(c1)Cl)O)[C@@H](C(=O)O)N |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)[Si](C(C)C)(C(C)C)OC(c1ccc(c(c1)Cl)O)C(C(=O)O)N |