種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | OC2C(c1ccc(OC)cc1)N(C)C(C)C2O |
InChI | InChI | 1.03 | InChI=1S/C13H19NO3/c1-8-12(15)13(16)11(14(8)2)9-4-6-10(17-3)7-5-9/h4-8,11-13,15-16H,1-3H3/t8-,11-,12+,13-/m0/s1 |
InChIKey | InChI | 1.03 | GJZNAEFHIYPPEM-KNDHEWATSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(cc1)[C@H]2[C@H](O)[C@H](O)[C@H](C)N2C |
SMILES | CACTVS | 3.370 | COc1ccc(cc1)[CH]2[CH](O)[CH](O)[CH](C)N2C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | C[C@H]1[C@H]([C@H]([C@@H](N1C)c2ccc(cc2)OC)O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1C(C(C(N1C)c2ccc(cc2)OC)O)O |