Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C(C(c1ccc(F)c(OCC(CCC)CCC)c1)O)CN |
InChI | InChI | 1.03 | InChI=1S/C17H28FNO2/c1-3-5-13(6-4-2)12-21-17-11-14(7-8-15(17)18)16(20)9-10-19/h7-8,11,13,16,20H,3-6,9-10,12,19H2,1-2H3/t16-/m1/s1 |
InChIKey | InChI | 1.03 | WDYVEMOTVIKKNU-MRXNPFEDSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCC(CCC)COc1cc(ccc1F)[C@H](O)CCN |
SMILES | CACTVS | 3.385 | CCCC(CCC)COc1cc(ccc1F)[CH](O)CCN |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCC(CCC)COc1cc(ccc1F)[C@@H](CCN)O |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCC(CCC)COc1cc(ccc1F)C(CCN)O |