7-[2-ethyl-4-(4-methylphenyl)-5-phenylmethoxy-phenoxy]-2,2-dimethyl-heptanenitrile

Systemtic Name: 7-[2-ethyl-4-(4-methylphenyl)-5-phenylmethoxy-phenoxy]-2,2-dimethyl-heptanenitrile Openeye Name: 7-[5-benzyloxy-2-ethyl-4-(p-tolyl)phenoxy]-2,2-dimethyl-heptanenitrile CAS Name: 7-[2-ethyl-4-(4-methylphenyl)-5-phenylmethoxyphenoxy]-2,2-dimethylheptanenitrile IUPAC Name: 7-[2-ethyl-4-(4-methylphenyl)-5-phenylmethoxyphenoxy]-2,2-dimethylheptanenitrile Traditional Name: 7-[5-benzoxy-2-ethyl-4-(p-tolyl)phenoxy]-2,2-dimethyl-enanthonitrile Formula: C31H37NO2 MolecularWeight: 455.63098

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C(=C1)C2=CC=C(C=C2)C)OCC3=CC=CC=C3)OCCCCCC(C)(C)C#N

Isomeric SMILES

CCC1=C(C=C(C(=C1)C2=CC=C(C=C2)C)OCC3=CC=CC=C3)OCCCCCC(C)(C)C#N

InChI

InChI=1S/C31H37NO2/c1-5-26-20-28(27-16-14-24(2)15-17-27)30(34-22-25-12-8-6-9-13-25)21-29(26)33-19-11-7-10-18-31(3,4)23-32/h6,8-9,12-17,20-21H,5,7,10-11,18-19,22H2,1-4H3