種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O(c1cc(cc(OC)c1)C)c2cc(nc(c2)C)c3ccc(OC)cc3 |
InChI | InChI | 1.03 | InChI=1S/C21H21NO3/c1-14-9-18(24-4)12-19(10-14)25-20-11-15(2)22-21(13-20)16-5-7-17(23-3)8-6-16/h5-13H,1-4H3 |
InChIKey | InChI | 1.03 | WAAJEIGWGSZNPQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)c2cc(Oc3cc(C)cc(OC)c3)cc(C)n2 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)c2cc(Oc3cc(C)cc(OC)c3)cc(C)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1cc(cc(c1)Oc2cc(nc(c2)c3ccc(cc3)OC)C)OC |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1cc(cc(c1)Oc2cc(nc(c2)c3ccc(cc3)OC)C)OC |