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

Systemtic Name: 7-[2-ethyl-4-(4-methoxyphenyl)-5-phenylmethoxy-phenoxy]-2,2-dimethyl-heptanenitrile Openeye Name: 7-[5-benzyloxy-2-ethyl-4-(4-methoxyphenyl)phenoxy]-2,2-dimethyl-heptanenitrile CAS Name: 7-[2-ethyl-4-(4-methoxyphenyl)-5-phenylmethoxyphenoxy]-2,2-dimethylheptanenitrile IUPAC Name: 7-[2-ethyl-4-(4-methoxyphenyl)-5-phenylmethoxyphenoxy]-2,2-dimethylheptanenitrile Traditional Name: 7-[5-benzoxy-2-ethyl-4-(4-methoxyphenyl)phenoxy]-2,2-dimethyl-enanthonitrile Formula: C31H37NO3 MolecularWeight: 471.63038

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H37NO3/c1-5-25-20-28(26-14-16-27(33-4)17-15-26)30(35-22-24-12-8-6-9-13-24)21-29(25)34-19-11-7-10-18-31(2,3)23-32/h6,8-9,12-17,20-21H,5,7,10-11,18-19,22H2,1-4H3