4-[2-[4-(4-heptylcyclohexyl)-2-methyl-phenyl]ethyl]benzenecarbonitrile

Systemtic Name: 4-[2-[4-(4-heptylcyclohexyl)-2-methyl-phenyl]ethyl]benzenecarbonitrile Openeye Name: 4-[2-[4-(4-heptylcyclohexyl)-2-methyl-phenyl]ethyl]benzonitrile CAS Name: 4-[2-[4-(4-heptylcyclohexyl)-2-methylphenyl]ethyl]benzonitrile IUPAC Name: 4-[2-[4-(4-heptylcyclohexyl)-2-methylphenyl]ethyl]benzonitrile Traditional Name: 4-[2-[4-(4-heptylcyclohexyl)-2-methyl-phenyl]ethyl]benzonitrile Formula: C29H39N MolecularWeight: 401.62666

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCC1CCC(CC1)C2=CC(=C(C=C2)CCC3=CC=C(C=C3)C#N)C

Isomeric SMILES

CCCCCCCC1CCC(CC1)C2=CC(=C(C=C2)CCC3=CC=C(C=C3)C#N)C

InChI

InChI=1S/C29H39N/c1-3-4-5-6-7-8-24-14-17-28(18-15-24)29-20-19-27(23(2)21-29)16-13-25-9-11-26(22-30)12-10-25/h9-12,19-21,24,28H,3-8,13-18H2,1-2H3