Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Ic2cc(c1ccc(F)cc1F)cc(C(=O)NCCC(=O)OC)c2O |
SMILES_CANONICAL | CACTVS | 3.341 | COC(=O)CCNC(=O)c1cc(cc(I)c1O)c2ccc(F)cc2F |
SMILES | CACTVS | 3.341 | COC(=O)CCNC(=O)c1cc(cc(I)c1O)c2ccc(F)cc2F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COC(=O)CCNC(=O)c1cc(cc(c1O)I)c2ccc(cc2F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | COC(=O)CCNC(=O)c1cc(cc(c1O)I)c2ccc(cc2F)F |
InChI | InChI | 1.03 | InChI=1S/C17H14F2INO4/c1-25-15(22)4-5-21-17(24)12-6-9(7-14(20)16(12)23)11-3-2-10(18)8-13(11)19/h2-3,6-8,23H,4-5H2,1H3,(H,21,24) |
InChIKey | InChI | 1.03 | ZMRRBWRMQPQQAN-UHFFFAOYSA-N |