Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OCC)c2c3c(c(O)ccc3oc2c1ccccc1)CN4CCOCC4 |
InChI | InChI | 1.03 | InChI=1S/C22H23NO5/c1-2-27-22(25)20-19-16(14-23-10-12-26-13-11-23)17(24)8-9-18(19)28-21(20)15-6-4-3-5-7-15/h3-9,24H,2,10-14H2,1H3 |
InChIKey | InChI | 1.03 | OGXGATRCXHSTEV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1c(oc2ccc(O)c(CN3CCOCC3)c12)c4ccccc4 |
SMILES | CACTVS | 3.385 | CCOC(=O)c1c(oc2ccc(O)c(CN3CCOCC3)c12)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOC(=O)c1c2c(ccc(c2CN3CCOCC3)O)oc1c4ccccc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | CCOC(=O)c1c2c(ccc(c2CN3CCOCC3)O)oc1c4ccccc4 |