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

Systemtic Name: 2-[(4-heptylcyclohexyl)methyl]-4-[4-(4-hexoxyphenyl)phenyl]butanenitrile Openeye Name: 2-[(4-heptylcyclohexyl)methyl]-4-[4-(4-hexoxyphenyl)phenyl]butanenitrile CAS Name: 2-[(4-heptylcyclohexyl)methyl]-4-[4-(4-hexoxyphenyl)phenyl]butanenitrile IUPAC Name: 2-[(4-heptylcyclohexyl)methyl]-4-[4-(4-hexoxyphenyl)phenyl]butanenitrile Traditional Name: 2-[(4-heptylcyclohexyl)methyl]-4-[4-(4-hexoxyphenyl)phenyl]butyronitrile Formula: C36H53NO MolecularWeight: 515.81212

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)CC(CCC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCC)C#N

Isomeric SMILES

CCCCCCCC1CCC(CC1)CC(CCC2=CC=C(C=C2)C3=CC=C(C=C3)OCCCCCC)C#N

InChI

InChI=1S/C36H53NO/c1-3-5-7-9-10-12-30-13-16-32(17-14-30)28-33(29-37)18-15-31-19-21-34(22-20-31)35-23-25-36(26-24-35)38-27-11-8-6-4-2/h19-26,30,32-33H,3-18,27-28H2,1-2H3