3,6-bis[[3,5-bis(fluoranyl)phenyl]methoxy]-1-methyl-azepane-4,5-diol

Systemtic Name: 3,6-bis[[3,5-bis(fluoranyl)phenyl]methoxy]-1-methyl-azepane-4,5-diol Openeye Name: 3,6-bis[(3,5-difluorophenyl)methoxy]-1-methyl-azepane-4,5-diol CAS Name: 3,6-bis[(3,5-difluorophenyl)methoxy]-1-methylazepane-4,5-diol IUPAC Name: 3,6-bis[(3,5-difluorophenyl)methoxy]-1-methylazepane-4,5-diol Traditional Name: 3,6-bis[(3,5-difluorobenzyl)oxy]-1-methyl-azepane-4,5-diol Formula: C21H23F4NO4 MolecularWeight: 429.405233

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Descriptors Computed from Structure

Canonical SMILES:

CN1CC(C(C(C(C1)OCC2=CC(=CC(=C2)F)F)O)O)OCC3=CC(=CC(=C3)F)F

Isomeric SMILES

CN1CC(C(C(C(C1)OCC2=CC(=CC(=C2)F)F)O)O)OCC3=CC(=CC(=C3)F)F

InChI

InChI=1S/C21H23F4NO4/c1-26-8-18(29-10-12-2-14(22)6-15(23)3-12)20(27)21(28)19(9-26)30-11-13-4-16(24)7-17(25)5-13/h2-7,18-21,27-28H,8-11H2,1H3