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

Systemtic Name: 7-[4-(4-dimethylaminophenyl)-2-ethyl-5-phenylmethoxy-phenoxy]-2,2-dimethyl-heptanenitrile Openeye Name: 7-[5-benzyloxy-4-(4-dimethylaminophenyl)-2-ethyl-phenoxy]-2,2-dimethyl-heptanenitrile CAS Name: 7-[4-(4-dimethylaminophenyl)-2-ethyl-5-phenylmethoxyphenoxy]-2,2-dimethylheptanenitrile IUPAC Name: 7-[4-(4-dimethylaminophenyl)-2-ethyl-5-phenylmethoxyphenoxy]-2,2-dimethylheptanenitrile Traditional Name: 7-[5-benzoxy-4-(4-dimethylaminophenyl)-2-ethyl-phenoxy]-2,2-dimethyl-enanthonitrile Formula: C32H40N2O2 MolecularWeight: 484.6722

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C32H40N2O2/c1-6-26-21-29(27-15-17-28(18-16-27)34(4)5)31(36-23-25-13-9-7-10-14-25)22-30(26)35-20-12-8-11-19-32(2,3)24-33/h7,9-10,13-18,21-22H,6,8,11-12,19-20,23H2,1-5H3