2-[(4-heptylcyclohexyl)methyl]-4-[4-(4-octoxyphenyl)phenyl]butanenitrile

Systemtic Name: 2-[(4-heptylcyclohexyl)methyl]-4-[4-(4-octoxyphenyl)phenyl]butanenitrile Openeye Name: 2-[(4-heptylcyclohexyl)methyl]-4-[4-(4-octoxyphenyl)phenyl]butanenitrile CAS Name: 2-[(4-heptylcyclohexyl)methyl]-4-[4-(4-octoxyphenyl)phenyl]butanenitrile IUPAC Name: 2-[(4-heptylcyclohexyl)methyl]-4-[4-(4-octoxyphenyl)phenyl]butanenitrile Traditional Name: 2-[(4-heptylcyclohexyl)methyl]-4-[4-(4-octoxyphenyl)phenyl]butyronitrile Formula: C38H57NO MolecularWeight: 543.86528

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCC(CC3CCC(CC3)CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCC(CC3CCC(CC3)CCCCCCC)C#N

InChI

InChI=1S/C38H57NO/c1-3-5-7-9-11-13-29-40-38-27-25-37(26-28-38)36-23-21-33(22-24-36)17-20-35(31-39)30-34-18-15-32(16-19-34)14-12-10-8-6-4-2/h21-28,32,34-35H,3-20,29-30H2,1-2H3