Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | OC(c1cc(ccc1C)Oc2nc3c(n2)cc(Cl)c(n3)c4ccc(cc4)c5c(cccc5)O)=O |
InChI | InChI | 1.03 | InChI=1S/C26H18ClN3O4/c1-14-6-11-17(12-19(14)25(32)33)34-26-28-21-13-20(27)23(29-24(21)30-26)16-9-7-15(8-10-16)18-4-2-3-5-22(18)31/h2-13,31H,1H3,(H,32,33)(H,28,29,30) |
InChIKey | InChI | 1.03 | MEZQZPGDJJEQPZ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(Oc2[nH]c3cc(Cl)c(nc3n2)c4ccc(cc4)c5ccccc5O)cc1C(O)=O |
SMILES | CACTVS | 3.385 | Cc1ccc(Oc2[nH]c3cc(Cl)c(nc3n2)c4ccc(cc4)c5ccccc5O)cc1C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)c5ccccc5O)Cl |
SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1C(=O)O)Oc2[nH]c3cc(c(nc3n2)c4ccc(cc4)c5ccccc5O)Cl |