3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohexane-1-carbonitrile

Systemtic Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]cyclohexane-1-carbonitrile Openeye Name: 3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]cyclohexanecarbonitrile CAS Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-cyclohexanecarbonitrile IUPAC Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohexane-1-carbonitrile Traditional Name: 3-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]cyclohexanecarbonitrile Formula: C29H39NO MolecularWeight: 417.62606

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(C2)C#N)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CCCC(C2)C#N)OCC3=CC=CC=C3

InChI

InChI=1S/C29H39NO/c1-4-5-6-10-18-29(2,3)26-16-17-27(25-15-11-14-24(19-25)21-30)28(20-26)31-22-23-12-8-7-9-13-23/h7-9,12-13,16-17,20,24-25H,4-6,10-11,14-15,18-19,22H2,1-3H3