Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | N(c1cc(c(O)cc1)O)C(=O)NCCc2ccc(c(c2)O)O |
InChI | InChI | 1.03 | InChI=1S/C15H16N2O5/c18-11-3-1-9(7-13(11)20)5-6-16-15(22)17-10-2-4-12(19)14(21)8-10/h1-4,7-8,18-21H,5-6H2,(H2,16,17,22) |
InChIKey | InChI | 1.03 | XPAUTCCLOUPUGJ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(CCNC(=O)Nc2ccc(O)c(O)c2)cc1O |
SMILES | CACTVS | 3.385 | Oc1ccc(CCNC(=O)Nc2ccc(O)c(O)c2)cc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CCNC(=O)Nc2ccc(c(c2)O)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(c(cc1CCNC(=O)Nc2ccc(c(c2)O)O)O)O |