種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=C2C(c1ccccc1)=C(O)C=C(N2)CC3CCC(C)(C)CC3 |
InChI | InChI | 1.03 | InChI=1S/C20H25NO2/c1-20(2)10-8-14(9-11-20)12-16-13-17(22)18(19(23)21-16)15-6-4-3-5-7-15/h3-7,13-14H,8-12H2,1-2H3,(H2,21,22,23) |
InChIKey | InChI | 1.03 | WKDRRKVUJLNFSR-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC1(C)CCC(CC1)CC2=CC(=C(C(=O)N2)c3ccccc3)O |
SMILES | CACTVS | 3.385 | CC1(C)CCC(CC1)CC2=CC(=C(C(=O)N2)c3ccccc3)O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CC1(CCC(CC1)CC2=CC(=C(C(=O)N2)c3ccccc3)O)C |
SMILES | OpenEye OEToolkits | 1.7.6 | CC1(CCC(CC1)CC2=CC(=C(C(=O)N2)c3ccccc3)O)C |