Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(=O)(c1cc(c(c(c1)OC)OC)OC)c2cncc(n2)c3cc(c(cc3)C)O |
InChI | InChI | 1.03 | InChI=1S/C21H20N2O5/c1-12-5-6-13(7-17(12)24)15-10-22-11-16(23-15)20(25)14-8-18(26-2)21(28-4)19(9-14)27-3/h5-11,24H,1-4H3 |
InChIKey | InChI | 1.03 | KWJXOYGITCRCRW-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)C(=O)c2cncc(n2)c3ccc(C)c(O)c3 |
SMILES | CACTVS | 3.385 | COc1cc(cc(OC)c1OC)C(=O)c2cncc(n2)c3ccc(C)c(O)c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1O)c2cncc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1O)c2cncc(n2)C(=O)c3cc(c(c(c3)OC)OC)OC |