Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OCc1cccc(OC)c1)c4oc3cccc(OC2CCNCC2)c3c4C |
InChI | InChI | 1.03 | InChI=1S/C23H25NO5/c1-15-21-19(28-17-9-11-24-12-10-17)7-4-8-20(21)29-22(15)23(25)27-14-16-5-3-6-18(13-16)26-2/h3-8,13,17,24H,9-12,14H2,1-2H3 |
InChIKey | InChI | 1.03 | MODWRRKHFAUNLX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(COC(=O)c2oc3cccc(OC4CCNCC4)c3c2C)c1 |
SMILES | CACTVS | 3.385 | COc1cccc(COC(=O)c2oc3cccc(OC4CCNCC4)c3c2C)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)OCc4cccc(c4)OC |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c2c(cccc2OC3CCNCC3)oc1C(=O)OCc4cccc(c4)OC |