4-[2-(3-fluorophenyl)-5-octoxy-phenyl]benzenecarbonitrile

Systemtic Name: 4-[2-(3-fluorophenyl)-5-octoxy-phenyl]benzenecarbonitrile Openeye Name: 4-[2-(3-fluorophenyl)-5-octoxy-phenyl]benzonitrile CAS Name: 4-[2-(3-fluorophenyl)-5-octoxyphenyl]benzonitrile IUPAC Name: 4-[2-(3-fluorophenyl)-5-octoxyphenyl]benzonitrile Traditional Name: 4-[2-(3-fluorophenyl)-5-octoxy-phenyl]benzonitrile Formula: C27H28FNO MolecularWeight: 401.515723

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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