2-[2-(2-methyloctan-2-yl)phenyl]-5-oxidanyl-3-phenylmethoxy-cyclohexane-1-carbonitrile

Systemtic Name: 2-[2-(2-methyloctan-2-yl)phenyl]-5-oxidanyl-3-phenylmethoxy-cyclohexane-1-carbonitrile Openeye Name: 3-benzyloxy-2-[2-(1,1-dimethylheptyl)phenyl]-5-hydroxy-cyclohexanecarbonitrile CAS Name: 5-hydroxy-2-[2-(2-methyloctan-2-yl)phenyl]-3-phenylmethoxy-1-cyclohexanecarbonitrile IUPAC Name: 5-hydroxy-2-[2-(2-methyloctan-2-yl)phenyl]-3-phenylmethoxycyclohexane-1-carbonitrile Traditional Name: 3-benzoxy-2-[2-(1,1-dimethylheptyl)phenyl]-5-hydroxy-cyclohexanecarbonitrile Formula: C29H39NO2 MolecularWeight: 433.62546

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC=CC=C1C2C(CC(CC2OCC3=CC=CC=C3)O)C#N

Isomeric SMILES

CCCCCCC(C)(C)C1=CC=CC=C1C2C(CC(CC2OCC3=CC=CC=C3)O)C#N

InChI

InChI=1S/C29H39NO2/c1-4-5-6-12-17-29(2,3)26-16-11-10-15-25(26)28-23(20-30)18-24(31)19-27(28)32-21-22-13-8-7-9-14-22/h7-11,13-16,23-24,27-28,31H,4-6,12,17-19,21H2,1-3H3