5-(4-ethoxyphenyl)-5-methyl-2-(3-phenoxyphenyl)hexanenitrile

Systemtic Name: 5-(4-ethoxyphenyl)-5-methyl-2-(3-phenoxyphenyl)hexanenitrile Openeye Name: 5-(4-ethoxyphenyl)-5-methyl-2-(3-phenoxyphenyl)hexanenitrile CAS Name: 5-(4-ethoxyphenyl)-5-methyl-2-(3-phenoxyphenyl)hexanenitrile IUPAC Name: 5-(4-ethoxyphenyl)-5-methyl-2-(3-phenoxyphenyl)hexanenitrile Traditional Name: 5-methyl-2-(3-phenoxyphenyl)-5-p-phenetyl-hexanenitrile Formula: C27H29NO2 MolecularWeight: 399.52466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H29NO2/c1-4-29-24-15-13-23(14-16-24)27(2,3)18-17-22(20-28)21-9-8-12-26(19-21)30-25-10-6-5-7-11-25/h5-16,19,22H,4,17-18H2,1-3H3