7-(5-ethyl-3-methoxy-2-phenylmethoxy-phenoxy)-2,2-dimethyl-heptanenitrile

Systemtic Name: 7-(5-ethyl-3-methoxy-2-phenylmethoxy-phenoxy)-2,2-dimethyl-heptanenitrile Openeye Name: 7-(2-benzyloxy-5-ethyl-3-methoxy-phenoxy)-2,2-dimethyl-heptanenitrile CAS Name: 7-(5-ethyl-3-methoxy-2-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile IUPAC Name: 7-(5-ethyl-3-methoxy-2-phenylmethoxyphenoxy)-2,2-dimethylheptanenitrile Traditional Name: 7-(2-benzoxy-5-ethyl-3-methoxy-phenoxy)-2,2-dimethyl-enanthonitrile Formula: C25H33NO3 MolecularWeight: 395.53442

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C(=C1)OCCCCCC(C)(C)C#N)OCC2=CC=CC=C2)OC

Isomeric SMILES

CCC1=CC(=C(C(=C1)OCCCCCC(C)(C)C#N)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C25H33NO3/c1-5-20-16-22(27-4)24(29-18-21-12-8-6-9-13-21)23(17-20)28-15-11-7-10-14-25(2,3)19-26/h6,8-9,12-13,16-17H,5,7,10-11,14-15,18H2,1-4H3