Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1c(c(F)cc(Br)c1)CNC(=O)c2ccc(Cl)cc2OCC(=O)O |
InChI | InChI | 1.03 | InChI=1S/C16H11BrClF2NO4/c17-8-3-12(19)11(13(20)4-8)6-21-16(24)10-2-1-9(18)5-14(10)25-7-15(22)23/h1-5H,6-7H2,(H,21,24)(H,22,23) |
InChIKey | InChI | 1.03 | ITCYRGAOHOZIOB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)COc1cc(Cl)ccc1C(=O)NCc2c(F)cc(Br)cc2F |
SMILES | CACTVS | 3.385 | OC(=O)COc1cc(Cl)ccc1C(=O)NCc2c(F)cc(Br)cc2F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)Br)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1Cl)OCC(=O)O)C(=O)NCc2c(cc(cc2F)Br)F |