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

Systemtic Name: 5-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-2-octan-2-yloxy-benzenecarbonitrile Openeye Name: 5-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-2-(1-methylheptoxy)benzonitrile CAS Name: 5-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-2-octan-2-yloxybenzonitrile IUPAC Name: 5-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-2-octan-2-yloxybenzonitrile Traditional Name: 5-[2-[4-(4-decoxyphenyl)phenyl]ethynyl]-2-(1-methylheptoxy)benzonitrile Formula: C39H49NO2 MolecularWeight: 563.81186

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C39H49NO2/c1-4-6-8-10-11-12-13-15-29-41-38-26-24-36(25-27-38)35-22-19-33(20-23-35)17-18-34-21-28-39(37(30-34)31-40)42-32(3)16-14-9-7-5-2/h19-28,30,32H,4-16,29H2,1-3H3