2-fluoranyl-3-octoxy-6-[4-(4-pentylphenyl)phenyl]benzenecarbonitrile

Systemtic Name: 2-fluoranyl-3-octoxy-6-[4-(4-pentylphenyl)phenyl]benzenecarbonitrile Openeye Name: 2-fluoro-3-octoxy-6-[4-(4-pentylphenyl)phenyl]benzonitrile CAS Name: 2-fluoro-3-octoxy-6-[4-(4-pentylphenyl)phenyl]benzonitrile IUPAC Name: 2-fluoro-3-octoxy-6-[4-(4-pentylphenyl)phenyl]benzonitrile Traditional Name: 6-[4-(4-amylphenyl)phenyl]-2-fluoro-3-octoxy-benzonitrile Formula: C32H38FNO MolecularWeight: 471.648623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H38FNO/c1-3-5-7-8-9-11-23-35-31-22-21-29(30(24-34)32(31)33)28-19-17-27(18-20-28)26-15-13-25(14-16-26)12-10-6-4-2/h13-22H,3-12,23H2,1-2H3