2-[4-(3-fluoranyl-4-pentoxy-phenyl)phenoxy]propanenitrile

Systemtic Name: 2-[4-(3-fluoranyl-4-pentoxy-phenyl)phenoxy]propanenitrile Openeye Name: 2-[4-(3-fluoro-4-pentoxy-phenyl)phenoxy]propanenitrile CAS Name: 2-[4-(3-fluoro-4-pentoxyphenyl)phenoxy]propanenitrile IUPAC Name: 2-[4-(3-fluoro-4-pentoxyphenyl)phenoxy]propanenitrile Traditional Name: 2-[4-(4-amoxy-3-fluoro-phenyl)phenoxy]propionitrile Formula: C20H22FNO2 MolecularWeight: 327.392583

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(C)C#N)F

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)OC(C)C#N)F

InChI

InChI=1S/C20H22FNO2/c1-3-4-5-12-23-20-11-8-17(13-19(20)21)16-6-9-18(10-7-16)24-15(2)14-22/h6-11,13,15H,3-5,12H2,1-2H3