1-[2-[4-(4-heptoxyphenyl)phenyl]ethyl]-3-methyl-cyclohexane-1-carbonitrile

Systemtic Name: 1-[2-[4-(4-heptoxyphenyl)phenyl]ethyl]-3-methyl-cyclohexane-1-carbonitrile Openeye Name: 1-[2-[4-(4-heptoxyphenyl)phenyl]ethyl]-3-methyl-cyclohexanecarbonitrile CAS Name: 1-[2-[4-(4-heptoxyphenyl)phenyl]ethyl]-3-methyl-1-cyclohexanecarbonitrile IUPAC Name: 1-[2-[4-(4-heptoxyphenyl)phenyl]ethyl]-3-methylcyclohexane-1-carbonitrile Traditional Name: 1-[2-[4-(4-heptoxyphenyl)phenyl]ethyl]-3-methyl-cyclohexanecarbonitrile Formula: C29H39NO MolecularWeight: 417.62606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCC3(CCCC(C3)C)C#N

Isomeric SMILES

CCCCCCCOC1=CC=C(C=C1)C2=CC=C(C=C2)CCC3(CCCC(C3)C)C#N

InChI

InChI=1S/C29H39NO/c1-3-4-5-6-7-21-31-28-16-14-27(15-17-28)26-12-10-25(11-13-26)18-20-29(23-30)19-8-9-24(2)22-29/h10-17,24H,3-9,18-22H2,1-2H3