6-[2-ethyl-4-(4-fluorophenyl)-5-phenylmethoxy-phenoxy]-2,2-dimethyl-hexanenitrile

Systemtic Name: 6-[2-ethyl-4-(4-fluorophenyl)-5-phenylmethoxy-phenoxy]-2,2-dimethyl-hexanenitrile Openeye Name: 6-[5-benzyloxy-2-ethyl-4-(4-fluorophenyl)phenoxy]-2,2-dimethyl-hexanenitrile CAS Name: 6-[2-ethyl-4-(4-fluorophenyl)-5-phenylmethoxyphenoxy]-2,2-dimethylhexanenitrile IUPAC Name: 6-[2-ethyl-4-(4-fluorophenyl)-5-phenylmethoxyphenoxy]-2,2-dimethylhexanenitrile Traditional Name: 6-[5-benzoxy-2-ethyl-4-(4-fluorophenyl)phenoxy]-2,2-dimethyl-hexanenitrile Formula: C29H32FNO2 MolecularWeight: 445.568283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H32FNO2/c1-4-23-18-26(24-12-14-25(30)15-13-24)28(33-20-22-10-6-5-7-11-22)19-27(23)32-17-9-8-16-29(2,3)21-31/h5-7,10-15,18-19H,4,8-9,16-17,20H2,1-3H3