種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C21H22N2O4/c1-24-13-7-5-12(6-8-13)19-18-15-11-17(25-2)21(27-4)20(26-3)14(15)9-10-16(18)22-23-19/h5-8,11H,9-10H2,1-4H3,(H,22,23) |
InChIKey | InChI | 1.03 | LOJZGYGSTOWCFA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(cc1)c2[nH]nc3CCc4c(OC)c(OC)c(OC)cc4c23 |
SMILES | CACTVS | 3.385 | COc1ccc(cc1)c2[nH]nc3CCc4c(OC)c(OC)c(OC)cc4c23 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)c2c-3c(n[nH]2)CCc4c3cc(c(c4OC)OC)OC |
SMILES | OpenEye OEToolkits | 2.0.6 | COc1ccc(cc1)c2c-3c(n[nH]2)CCc4c3cc(c(c4OC)OC)OC |