Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1c(c(cc(Br)c1F)C(=O)NOCC(O)CO)Nc2ccc(I)cc2F |
SMILES_CANONICAL | CACTVS | 3.341 | OC[C@H](O)CONC(=O)c1cc(Br)c(F)c(F)c1Nc2ccc(I)cc2F |
SMILES | CACTVS | 3.341 | OC[CH](O)CONC(=O)c1cc(Br)c(F)c(F)c1Nc2ccc(I)cc2F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)Br)C(=O)NOC[C@H](CO)O |
SMILES | OpenEye OEToolkits | 1.5.0 | c1cc(c(cc1I)F)Nc2c(cc(c(c2F)F)Br)C(=O)NOCC(CO)O |
InChI | InChI | 1.03 | InChI=1S/C16H13BrF3IN2O4/c17-10-4-9(16(26)23-27-6-8(25)5-24)15(14(20)13(10)19)22-12-2-1-7(21)3-11(12)18/h1-4,8,22,24-25H,5-6H2,(H,23,26)/t8-/m0/s1 |
InChIKey | InChI | 1.03 | XXSSGBYXSKOLAM-QMMMGPOBSA-N |