Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | n3oc(c(c1cc(O)cc(c1)C(O)c2ccccc2)c3C)C |
InChI | InChI | 1.03 | InChI=1S/C18H17NO3/c1-11-17(12(2)22-19-11)14-8-15(10-16(20)9-14)18(21)13-6-4-3-5-7-13/h3-10,18,20-21H,1-2H3/t18-/m1/s1 |
InChIKey | InChI | 1.03 | FEQUIPXIENTMJN-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1onc(C)c1c2cc(O)cc(c2)[C@H](O)c3ccccc3 |
SMILES | CACTVS | 3.370 | Cc1onc(C)c1c2cc(O)cc(c2)[CH](O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(on1)C)c2cc(cc(c2)O)[C@@H](c3ccccc3)O |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(on1)C)c2cc(cc(c2)O)C(c3ccccc3)O |