Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | COc1cccc(c1)CCCC=1C(=O)OC(CCc2ccccc2)C=1O |
InChI | InChI | 1.06 | InChI=1S/C22H24O4/c1-25-18-11-5-9-17(15-18)10-6-12-19-21(23)20(26-22(19)24)14-13-16-7-3-2-4-8-16/h2-5,7-9,11,15,20,23H,6,10,12-14H2,1H3/t20-/m1/s1 |
InChIKey | InChI | 1.06 | WQRHSASTQIHYTQ-HXUWFJFHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1cccc(CCCC2=C(O)[C@@H](CCc3ccccc3)OC2=O)c1 |
SMILES | CACTVS | 3.385 | COc1cccc(CCCC2=C(O)[CH](CCc3ccccc3)OC2=O)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)CCCC2=C([C@H](OC2=O)CCc3ccccc3)O |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1cccc(c1)CCCC2=C(C(OC2=O)CCc3ccccc3)O |