Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(c1cccc(O)c1O)NCCCCNC(=O)c2cccc(O)c2O |
InChI | InChI | 1.03 | InChI=1S/C18H20N2O6/c21-13-7-3-5-11(15(13)23)17(25)19-9-1-2-10-20-18(26)12-6-4-8-14(22)16(12)24/h3-8,21-24H,1-2,9-10H2,(H,19,25)(H,20,26) |
InChIKey | InChI | 1.03 | FBRVRHJYPWFVCL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Oc1cccc(C(=O)NCCCCNC(=O)c2cccc(O)c2O)c1O |
SMILES | CACTVS | 3.370 | Oc1cccc(C(=O)NCCCCNC(=O)c2cccc(O)c2O)c1O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)O)O)C(=O)NCCCCNC(=O)c2cccc(c2O)O |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(c(c1)O)O)C(=O)NCCCCNC(=O)c2cccc(c2O)O |