2-[4-(4-octan-2-yloxyphenyl)phenyl]-1-(7-oxidanylheptyl)cyclohexane-1-carbonitrile

Systemtic Name: 2-[4-(4-octan-2-yloxyphenyl)phenyl]-1-(7-oxidanylheptyl)cyclohexane-1-carbonitrile Openeye Name: 1-(7-hydroxyheptyl)-2-[4-[4-(1-methylheptoxy)phenyl]phenyl]cyclohexanecarbonitrile CAS Name: 1-(7-hydroxyheptyl)-2-[4-(4-octan-2-yloxyphenyl)phenyl]-1-cyclohexanecarbonitrile IUPAC Name: 1-(7-hydroxyheptyl)-2-[4-(4-octan-2-yloxyphenyl)phenyl]cyclohexane-1-carbonitrile Traditional Name: 1-(7-hydroxyheptyl)-2-[4-[4-(1-methylheptoxy)phenyl]phenyl]cyclohexanecarbonitrile Formula: C34H49NO2 MolecularWeight: 503.75836

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCCCC3(CCCCCCCO)C#N

Isomeric SMILES

CCCCCCC(C)OC1=CC=C(C=C1)C2=CC=C(C=C2)C3CCCCC3(CCCCCCCO)C#N

InChI

InChI=1S/C34H49NO2/c1-3-4-5-9-14-28(2)37-32-22-20-30(21-23-32)29-16-18-31(19-17-29)33-15-10-12-25-34(33,27-35)24-11-7-6-8-13-26-36/h16-23,28,33,36H,3-15,24-26H2,1-2H3