7-[2-ethyl-4-(3-methylbut-2-enoxy)-5-phenylmethoxy-phenoxy]-2,2-dimethyl-heptanenitrile

Systemtic Name: 7-[2-ethyl-4-(3-methylbut-2-enoxy)-5-phenylmethoxy-phenoxy]-2,2-dimethyl-heptanenitrile Openeye Name: 7-[5-benzyloxy-2-ethyl-4-(3-methylbut-2-enoxy)phenoxy]-2,2-dimethyl-heptanenitrile CAS Name: 7-[2-ethyl-4-(3-methylbut-2-enoxy)-5-phenylmethoxyphenoxy]-2,2-dimethylheptanenitrile IUPAC Name: 7-[2-ethyl-4-(3-methylbut-2-enoxy)-5-phenylmethoxyphenoxy]-2,2-dimethylheptanenitrile Traditional Name: 7-[5-benzoxy-2-ethyl-4-(3-methylbut-2-enoxy)phenoxy]-2,2-dimethyl-enanthonitrile Formula: C29H39NO3 MolecularWeight: 449.62486

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1OCCCCCC(C)(C)C#N)OCC2=CC=CC=C2)OCC=C(C)C

Isomeric SMILES

CCC1=CC(=C(C=C1OCCCCCC(C)(C)C#N)OCC2=CC=CC=C2)OCC=C(C)C

InChI

InChI=1S/C29H39NO3/c1-6-25-19-27(32-18-15-23(2)3)28(33-21-24-13-9-7-10-14-24)20-26(25)31-17-12-8-11-16-29(4,5)22-30/h7,9-10,13-15,19-20H,6,8,11-12,16-18,21H2,1-5H3