種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C22H24ClNO3/c1-15(2)20(16-7-9-17(23)10-8-16)21(25)24-13-11-22(12-14-24)26-18-5-3-4-6-19(18)27-22/h3-10,15,20H,11-14H2,1-2H3/t20-/m0/s1 |
InChIKey | InChI | 1.03 | UDAMUOKENMUCKG-FQEVSTJZSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H](C(=O)N1CCC2(CC1)Oc3ccccc3O2)c4ccc(Cl)cc4 |
SMILES | CACTVS | 3.385 | CC(C)[CH](C(=O)N1CCC2(CC1)Oc3ccccc3O2)c4ccc(Cl)cc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CC(C)[C@@H](c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3 |
SMILES | OpenEye OEToolkits | 2.0.6 | CC(C)C(c1ccc(cc1)Cl)C(=O)N2CCC3(CC2)Oc4ccccc4O3 |