3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-5-oxidanyl-cyclohexane-1-carbonitrile

Systemtic Name: 3-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-5-oxidanyl-cyclohexane-1-carbonitrile Openeye Name: 3-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-5-hydroxy-cyclohexanecarbonitrile CAS Name: 3-hydroxy-5-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-cyclohexanecarbonitrile IUPAC Name: 3-hydroxy-5-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]cyclohexane-1-carbonitrile Traditional Name: 3-[2-benzoxy-4-(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(=C(C=C1)C2CC(CC(C2)O)C#N)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CC(C2)O)C#N)OCC3=CC=CC=C3

InChI

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