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

Systemtic Name: 2-[(4-heptylcyclohexyl)methyl]-4-[4-(4-pentylphenyl)phenyl]butanenitrile Openeye Name: 2-[(4-heptylcyclohexyl)methyl]-4-[4-(4-pentylphenyl)phenyl]butanenitrile CAS Name: 2-[(4-heptylcyclohexyl)methyl]-4-[4-(4-pentylphenyl)phenyl]butanenitrile IUPAC Name: 2-[(4-heptylcyclohexyl)methyl]-4-[4-(4-pentylphenyl)phenyl]butanenitrile Traditional Name: 4-[4-(4-amylphenyl)phenyl]-2-[(4-heptylcyclohexyl)methyl]butyronitrile Formula: C35H51N MolecularWeight: 485.78614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C35H51N/c1-3-5-7-8-10-12-29-13-16-32(17-14-29)27-33(28-36)18-15-31-21-25-35(26-22-31)34-23-19-30(20-24-34)11-9-6-4-2/h19-26,29,32-33H,3-18,27H2,1-2H3