5-[4-(4-decoxyphenyl)phenyl]-2-ethyl-benzenecarbonitrile

Systemtic Name: 5-[4-(4-decoxyphenyl)phenyl]-2-ethyl-benzenecarbonitrile Openeye Name: 5-[4-(4-decoxyphenyl)phenyl]-2-ethyl-benzonitrile CAS Name: 5-[4-(4-decoxyphenyl)phenyl]-2-ethylbenzonitrile IUPAC Name: 5-[4-(4-decoxyphenyl)phenyl]-2-ethylbenzonitrile Traditional Name: 5-[4-(4-decoxyphenyl)phenyl]-2-ethyl-benzonitrile Formula: C31H37NO MolecularWeight: 439.63158

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37NO/c1-3-5-6-7-8-9-10-11-22-33-31-20-18-27(19-21-31)26-13-15-28(16-14-26)29-17-12-25(4-2)30(23-29)24-32/h12-21,23H,3-11,22H2,1-2H3