種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 10.04 | O=Cc1c(cccc1Cl)NC(=O)C(NC(=O)OC(C)(C)C)C(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | CC(C)[C@H](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Cl)c1C=O |
SMILES | CACTVS | 3.341 | CC(C)[CH](NC(=O)OC(C)(C)C)C(=O)Nc1cccc(Cl)c1C=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)[C@@H](C(=O)Nc1cccc(c1C=O)Cl)NC(=O)OC(C)(C)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(C(=O)Nc1cccc(c1C=O)Cl)NC(=O)OC(C)(C)C |
InChI | InChI | 1.03 | InChI=1S/C17H23ClN2O4/c1-10(2)14(20-16(23)24-17(3,4)5)15(22)19-13-8-6-7-12(18)11(13)9-21/h6-10,14H,1-5H3,(H,19,22)(H,20,23)/t14-/m0/s1 |
InChIKey | InChI | 1.03 | GBHYPZDGTWSQFR-AWEZNQCLSA-N |