5-(4-ethoxyphenyl)-2-(4-fluoranyl-3-phenoxy-phenyl)-5-methyl-hexanenitrile

Systemtic Name: 5-(4-ethoxyphenyl)-2-(4-fluoranyl-3-phenoxy-phenyl)-5-methyl-hexanenitrile Openeye Name: 5-(4-ethoxyphenyl)-2-(4-fluoro-3-phenoxy-phenyl)-5-methyl-hexanenitrile CAS Name: 5-(4-ethoxyphenyl)-2-(4-fluoro-3-phenoxyphenyl)-5-methylhexanenitrile IUPAC Name: 5-(4-ethoxyphenyl)-2-(4-fluoro-3-phenoxyphenyl)-5-methylhexanenitrile Traditional Name: 2-(4-fluoro-3-phenoxy-phenyl)-5-methyl-5-p-phenetyl-hexanenitrile Formula: C27H28FNO2 MolecularWeight: 417.515123

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(C)(C)CCC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3

Isomeric SMILES

CCOC1=CC=C(C=C1)C(C)(C)CCC(C#N)C2=CC(=C(C=C2)F)OC3=CC=CC=C3

InChI

InChI=1S/C27H28FNO2/c1-4-30-23-13-11-22(12-14-23)27(2,3)17-16-21(19-29)20-10-15-25(28)26(18-20)31-24-8-6-5-7-9-24/h5-15,18,21H,4,16-17H2,1-3H3