Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cccc(c1F)CN3C(=O)c2c(O)c(O)ccc2C3 |
InChI | InChI | 1.03 | InChI=1S/C15H11ClFNO3/c16-10-3-1-2-9(13(10)17)7-18-6-8-4-5-11(19)14(20)12(8)15(18)21/h1-5,19-20H,6-7H2 |
InChIKey | InChI | 1.03 | ICSLEKWAWMLPBS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc2CN(Cc3cccc(Cl)c3F)C(=O)c2c1O |
SMILES | CACTVS | 3.385 | Oc1ccc2CN(Cc3cccc(Cl)c3F)C(=O)c2c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | c1cc(c(c(c1)Cl)F)CN2Cc3ccc(c(c3C2=O)O)O |
SMILES | OpenEye OEToolkits | 1.9.2 | c1cc(c(c(c1)Cl)F)CN2Cc3ccc(c(c3C2=O)O)O |