Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CC1(C)COC(OC1)(c1ccc(CNc2ccc(cc2OC)C(=O)O)cc1)C(C)(C)C |
InChI | InChI | 1.06 | InChI=1S/C25H33NO5/c1-23(2,3)25(30-15-24(4,5)16-31-25)19-10-7-17(8-11-19)14-26-20-12-9-18(22(27)28)13-21(20)29-6/h7-13,26H,14-16H2,1-6H3,(H,27,28) |
InChIKey | InChI | 1.06 | CZSPKEVHLRWAFC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cc(ccc1NCc2ccc(cc2)C3(OCC(C)(C)CO3)C(C)(C)C)C(O)=O |
SMILES | CACTVS | 3.385 | COc1cc(ccc1NCc2ccc(cc2)C3(OCC(C)(C)CO3)C(C)(C)C)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC1(COC(OC1)(c2ccc(cc2)CNc3ccc(cc3OC)C(=O)O)C(C)(C)C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CC1(COC(OC1)(c2ccc(cc2)CNc3ccc(cc3OC)C(=O)O)C(C)(C)C)C |