2-[3-[4-(4-heptoxyphenyl)phenyl]pentyl]-2-(2-methylbutyl)propanedinitrile

Systemtic Name: 2-[3-[4-(4-heptoxyphenyl)phenyl]pentyl]-2-(2-methylbutyl)propanedinitrile Openeye Name: 2-[3-[4-(4-heptoxyphenyl)phenyl]pentyl]-2-(2-methylbutyl)propanedinitrile CAS Name: 2-[3-[4-(4-heptoxyphenyl)phenyl]pentyl]-2-(2-methylbutyl)propanedinitrile IUPAC Name: 2-[3-[4-(4-heptoxyphenyl)phenyl]pentyl]-2-(2-methylbutyl)propanedinitrile Traditional Name: 2-[3-[4-(4-heptoxyphenyl)phenyl]pentyl]-2-(2-methylbutyl)malononitrile Formula: C32H44N2O MolecularWeight: 472.70456

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(CC)CCC(CC(C)CC)(C#N)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)C(CC)CCC(CC(C)CC)(C#N)C#N

InChI

InChI=1S/C32H44N2O/c1-5-8-9-10-11-22-35-31-18-16-30(17-19-31)29-14-12-28(13-15-29)27(7-3)20-21-32(24-33,25-34)23-26(4)6-2/h12-19,26-27H,5-11,20-23H2,1-4H3