種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C20H24N2O4/c1-12(2)26-20(24)21-17-10-13(3)22(14(4)23)18-8-7-15(11-16(17)18)19-6-5-9-25-19/h5-9,11-13,17H,10H2,1-4H3,(H,21,24)/t13-,17+/m0/s1 |
InChIKey | InChI | 1.03 | OZBRAEGGHPSXJE-SUMWQHHRSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)OC(=O)N[C@@H]1C[C@H](C)N(C(C)=O)c2ccc(cc12)c3occc3 |
SMILES | CACTVS | 3.385 | CC(C)OC(=O)N[CH]1C[CH](C)N(C(C)=O)c2ccc(cc12)c3occc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.4 | C[C@H]1C[C@H](c2cc(ccc2N1C(=O)C)c3ccco3)NC(=O)OC(C)C |
SMILES | OpenEye OEToolkits | 2.0.4 | CC1CC(c2cc(ccc2N1C(=O)C)c3ccco3)NC(=O)OC(C)C |