種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C(Nc1ccc(cc1)\C=C\c2cc(c(O)c(c2)C)C)CC |
InChI | InChI | 1.03 | InChI=1S/C19H21NO2/c1-4-18(21)20-17-9-7-15(8-10-17)5-6-16-11-13(2)19(22)14(3)12-16/h5-12,22H,4H2,1-3H3,(H,20,21)/b6-5+ |
InChIKey | InChI | 1.03 | XOQSZRKSZAGMSA-AATRIKPKSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CCC(=O)Nc1ccc(cc1)/C=C/c2cc(C)c(O)c(C)c2 |
SMILES | CACTVS | 3.370 | CCC(=O)Nc1ccc(cc1)C=Cc2cc(C)c(O)c(C)c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCC(=O)Nc1ccc(cc1)/C=C/c2cc(c(c(c2)C)O)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CCC(=O)Nc1ccc(cc1)C=Cc2cc(c(c(c2)C)O)C |