Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Fc1ccc(cc1F)C(CCC(=O)N(O)C)P(=O)(O)O |
SMILES_CANONICAL | CACTVS | 3.370 | CN(O)C(=O)CC[C@@H](c1ccc(F)c(F)c1)[P](O)(O)=O |
SMILES | CACTVS | 3.370 | CN(O)C(=O)CC[CH](c1ccc(F)c(F)c1)[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | CN(C(=O)CC[C@@H](c1ccc(c(c1)F)F)P(=O)(O)O)O |
SMILES | OpenEye OEToolkits | 1.7.0 | CN(C(=O)CCC(c1ccc(c(c1)F)F)P(=O)(O)O)O |
InChI | InChI | 1.03 | InChI=1S/C11H14F2NO5P/c1-14(16)11(15)5-4-10(20(17,18)19)7-2-3-8(12)9(13)6-7/h2-3,6,10,16H,4-5H2,1H3,(H2,17,18,19)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | IZWIBRNXHRUNKD-JTQLQIEISA-N |