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

Systemtic Name: 7-[2-ethyl-4-[(4-fluorophenyl)methoxy]-5-phenylmethoxy-phenoxy]-2,2-dimethyl-heptanenitrile Openeye Name: 7-[5-benzyloxy-2-ethyl-4-[(4-fluorophenyl)methoxy]phenoxy]-2,2-dimethyl-heptanenitrile CAS Name: 7-[2-ethyl-4-[(4-fluorophenyl)methoxy]-5-phenylmethoxyphenoxy]-2,2-dimethylheptanenitrile IUPAC Name: 7-[2-ethyl-4-[(4-fluorophenyl)methoxy]-5-phenylmethoxyphenoxy]-2,2-dimethylheptanenitrile Traditional Name: 7-[5-benzoxy-2-ethyl-4-(4-fluorobenzyl)oxy-phenoxy]-2,2-dimethyl-enanthonitrile Formula: C31H36FNO3 MolecularWeight: 489.620843

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=C(C=C1OCCCCCC(C)(C)C#N)OCC2=CC=CC=C2)OCC3=CC=C(C=C3)F

Isomeric SMILES

CCC1=CC(=C(C=C1OCCCCCC(C)(C)C#N)OCC2=CC=CC=C2)OCC3=CC=C(C=C3)F

InChI

InChI=1S/C31H36FNO3/c1-4-26-19-29(35-22-25-13-15-27(32)16-14-25)30(36-21-24-11-7-5-8-12-24)20-28(26)34-18-10-6-9-17-31(2,3)23-33/h5,7-8,11-16,19-20H,4,6,9-10,17-18,21-22H2,1-3H3