2-fluoranyl-3-[4-(4-octoxyphenyl)phenyl]-6-pentyl-benzenecarbonitrile

Systemtic Name: 2-fluoranyl-3-[4-(4-octoxyphenyl)phenyl]-6-pentyl-benzenecarbonitrile Openeye Name: 2-fluoro-3-[4-(4-octoxyphenyl)phenyl]-6-pentyl-benzonitrile CAS Name: 2-fluoro-3-[4-(4-octoxyphenyl)phenyl]-6-pentylbenzonitrile IUPAC Name: 2-fluoro-3-[4-(4-octoxyphenyl)phenyl]-6-pentylbenzonitrile Traditional Name: 6-amyl-2-fluoro-3-[4-(4-octoxyphenyl)phenyl]benzonitrile Formula: C32H38FNO MolecularWeight: 471.648623

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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