4-butyl-2-fluoranyl-1-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]cyclohexa-2,5-diene-1,4-diol

Systemtic Name: 4-butyl-2-fluoranyl-1-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]cyclohexa-2,5-diene-1,4-diol Openeye Name: 4-butyl-2-fluoro-1-[[3-(2-quinolylmethoxy)phenyl]methoxy]cyclohexa-2,5-diene-1,4-diol CAS Name: 4-butyl-2-fluoro-1-[[3-(2-quinolinylmethoxy)phenyl]methoxy]cyclohexa-2,5-diene-1,4-diol IUPAC Name: 4-butyl-2-fluoro-1-[[3-(quinolin-2-ylmethoxy)phenyl]methoxy]cyclohexa-2,5-diene-1,4-diol Traditional Name: 4-butyl-2-fluoro-1-[3-(2-quinolylmethoxy)benzyl]oxy-cyclohexa-2,5-diene-1,4-diol Formula: C27H28FNO4 MolecularWeight: 449.513923

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1(C=CC(C(=C1)F)(O)OCC2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3)O

Isomeric SMILES

CCCCC1(C=CC(C(=C1)F)(O)OCC2=CC(=CC=C2)OCC3=NC4=CC=CC=C4C=C3)O

InChI

InChI=1S/C27H28FNO4/c1-2-3-13-26(30)14-15-27(31,25(28)17-26)33-18-20-7-6-9-23(16-20)32-19-22-12-11-21-8-4-5-10-24(21)29-22/h4-12,14-17,30-31H,2-3,13,18-19H2,1H3