5-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-2-(2-methylbutoxy)benzenecarbonitrile

Systemtic Name: 5-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-2-(2-methylbutoxy)benzenecarbonitrile Openeye Name: 5-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-2-(2-methylbutoxy)benzonitrile CAS Name: 5-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-2-(2-methylbutoxy)benzonitrile IUPAC Name: 5-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-2-(2-methylbutoxy)benzonitrile Traditional Name: 5-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-2-(2-methylbutoxy)benzonitrile Formula: C36H43NO2 MolecularWeight: 521.73212

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=CC(=C(C=C3)OCC(C)CC)C#N

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C#CC3=CC(=C(C=C3)OCC(C)CC)C#N

InChI

InChI=1S/C36H43NO2/c1-4-6-7-8-9-10-11-12-25-38-35-22-20-33(21-23-35)32-18-15-30(16-19-32)13-14-31-17-24-36(34(26-31)27-37)39-28-29(3)5-2/h15-24,26,29H,4-12,25,28H2,1-3H3