4-[4-(3-fluoranyl-4-octoxy-phenyl)phenyl]benzenecarbonitrile

Systemtic Name: 4-[4-(3-fluoranyl-4-octoxy-phenyl)phenyl]benzenecarbonitrile Openeye Name: 4-[4-(3-fluoro-4-octoxy-phenyl)phenyl]benzonitrile CAS Name: 4-[4-(3-fluoro-4-octoxyphenyl)phenyl]benzonitrile IUPAC Name: 4-[4-(3-fluoro-4-octoxyphenyl)phenyl]benzonitrile Traditional Name: 4-[4-(3-fluoro-4-octoxy-phenyl)phenyl]benzonitrile Formula: C27H28FNO MolecularWeight: 401.515723

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=CC=C(C=C2)C3=CC=C(C=C3)C#N)F

InChI

InChI=1S/C27H28FNO/c1-2-3-4-5-6-7-18-30-27-17-16-25(19-26(27)28)24-14-12-23(13-15-24)22-10-8-21(20-29)9-11-22/h8-17,19H,2-7,18H2,1H3