Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Ic1ccc(c(F)c1)Nc2c3c(oc2C(=O)NOCC(O)CO)ccnc3 |
InChI | InChI | 1.03 | InChI=1S/C17H15FIN3O5/c18-12-5-9(19)1-2-13(12)21-15-11-6-20-4-3-14(11)27-16(15)17(25)22-26-8-10(24)7-23/h1-6,10,21,23-24H,7-8H2,(H,22,25)/t10-/m1/s1 |
InChIKey | InChI | 1.03 | MOKOPMFVODBALH-SNVBAGLBSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | OC[C@@H](O)CONC(=O)c1oc2ccncc2c1Nc3ccc(I)cc3F |
SMILES | CACTVS | 3.370 | OC[CH](O)CONC(=O)c1oc2ccncc2c1Nc3ccc(I)cc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1I)F)Nc2c3cnccc3oc2C(=O)NOC[C@@H](CO)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1I)F)Nc2c3cnccc3oc2C(=O)NOCC(CO)O |