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

Systemtic Name: 4-[4-(4-decoxyphenyl)phenyl]-2-[(4-heptylcyclohexyl)methyl]butanenitrile Openeye Name: 4-[4-(4-decoxyphenyl)phenyl]-2-[(4-heptylcyclohexyl)methyl]butanenitrile CAS Name: 4-[4-(4-decoxyphenyl)phenyl]-2-[(4-heptylcyclohexyl)methyl]butanenitrile IUPAC Name: 4-[4-(4-decoxyphenyl)phenyl]-2-[(4-heptylcyclohexyl)methyl]butanenitrile Traditional Name: 4-[4-(4-decoxyphenyl)phenyl]-2-[(4-heptylcyclohexyl)methyl]butyronitrile Formula: C40H61NO MolecularWeight: 571.91844

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCC(CC3CCC(CC3)CCCCCCC)C#N

Isomeric SMILES

CCCCCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCC(CC3CCC(CC3)CCCCCCC)C#N

InChI

InChI=1S/C40H61NO/c1-3-5-7-9-10-11-13-15-31-42-40-29-27-39(28-30-40)38-25-23-35(24-26-38)19-22-37(33-41)32-36-20-17-34(18-21-36)16-14-12-8-6-4-2/h23-30,34,36-37H,3-22,31-32H2,1-2H3