Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC(C)C1(CCN(Cc2ccc(OC)cc2)C(=O)c2ccco2)CC(C)(C)OCC1 |
InChI | InChI | 1.06 | InChI=1S/C25H35NO4/c1-19(2)25(13-16-30-24(3,4)18-25)12-14-26(23(27)22-7-6-15-29-22)17-20-8-10-21(28-5)11-9-20/h6-11,15,19H,12-14,16-18H2,1-5H3/t25-/m1/s1 |
InChIKey | InChI | 1.06 | SQGCJJXFRGWDAL-RUZDIDTESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(CN(CC[C@]2(CCOC(C)(C)C2)C(C)C)C(=O)c3occc3)cc1 |
SMILES | CACTVS | 3.385 | COc1ccc(CN(CC[C]2(CCOC(C)(C)C2)C(C)C)C(=O)c3occc3)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)[C@@]1(CCOC(C1)(C)C)CCN(Cc2ccc(cc2)OC)C(=O)c3ccco3 |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)C1(CCOC(C1)(C)C)CCN(Cc2ccc(cc2)OC)C(=O)c3ccco3 |