3-fluoranyl-4-[[2-(hydroxymethyl)-6-methoxy-phenoxy]methyl]benzenecarbonitrile

Systemtic Name: 3-fluoranyl-4-[[2-(hydroxymethyl)-6-methoxy-phenoxy]methyl]benzenecarbonitrile Openeye Name: 3-fluoro-4-[[2-(hydroxymethyl)-6-methoxy-phenoxy]methyl]benzonitrile CAS Name: 3-fluoro-4-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzonitrile IUPAC Name: 3-fluoro-4-[[2-(hydroxymethyl)-6-methoxyphenoxy]methyl]benzonitrile Traditional Name: 3-fluoro-4-[(2-methoxy-6-methylol-phenoxy)methyl]benzonitrile Formula: C16H14FNO3 MolecularWeight: 287.285663

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1OCC2=C(C=C(C=C2)C#N)F)CO

Isomeric SMILES

COC1=CC=CC(=C1OCC2=C(C=C(C=C2)C#N)F)CO

InChI

InChI=1S/C16H14FNO3/c1-20-15-4-2-3-12(9-19)16(15)21-10-13-6-5-11(8-18)7-14(13)17/h2-7,19H,9-10H2,1H3