Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C24H29Cl2NO3/c1-15-18-7-4-6-16(10-11-24(2,3)30)19(18)12-17(14-28)27(15)23(29)13-20-21(25)8-5-9-22(20)26/h4-9,15,17,28,30H,10-14H2,1-3H3/t15-,17+/m0/s1 |
InChIKey | InChI | 1.03 | XHCSBQBBGNQINS-DOTOQJQBSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[C@@H]1N([C@@H](CO)Cc2c(CCC(C)(C)O)cccc12)C(=O)Cc3c(Cl)cccc3Cl |
SMILES | CACTVS | 3.385 | C[CH]1N([CH](CO)Cc2c(CCC(C)(C)O)cccc12)C(=O)Cc3c(Cl)cccc3Cl |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | C[C@H]1c2cccc(c2C[C@@H](N1C(=O)Cc3c(cccc3Cl)Cl)CO)CCC(C)(C)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1c2cccc(c2CC(N1C(=O)Cc3c(cccc3Cl)Cl)CO)CCC(C)(C)O |