Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=C(OCC)c1c3c(c(O)ccc3oc1c2ccccc2)CN4CCC(C)CC4 |
InChI | InChI | 1.03 | InChI=1S/C24H27NO4/c1-3-28-24(27)22-21-18(15-25-13-11-16(2)12-14-25)19(26)9-10-20(21)29-23(22)17-7-5-4-6-8-17/h4-10,16,26H,3,11-15H2,1-2H3 |
InChIKey | InChI | 1.03 | YDARBKORYFGQMH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)c1c(oc2ccc(O)c(CN3CCC(C)CC3)c12)c4ccccc4 |
SMILES | CACTVS | 3.385 | CCOC(=O)c1c(oc2ccc(O)c(CN3CCC(C)CC3)c12)c4ccccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCOC(=O)c1c2c(ccc(c2CN3CCC(CC3)C)O)oc1c4ccccc4 |
SMILES | OpenEye OEToolkits | 1.7.6 | CCOC(=O)c1c2c(ccc(c2CN3CCC(CC3)C)O)oc1c4ccccc4 |