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

Systemtic Name: 5-(4-chlorophenyl)-5-methyl-2-(3-phenoxyphenyl)hexanenitrile Openeye Name: 5-(4-chlorophenyl)-5-methyl-2-(3-phenoxyphenyl)hexanenitrile CAS Name: 5-(4-chlorophenyl)-5-methyl-2-(3-phenoxyphenyl)hexanenitrile IUPAC Name: 5-(4-chlorophenyl)-5-methyl-2-(3-phenoxyphenyl)hexanenitrile Traditional Name: 5-(4-chlorophenyl)-5-methyl-2-(3-phenoxyphenyl)hexanenitrile Formula: C25H24ClNO MolecularWeight: 389.91716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)(CCC(C#N)C1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C25H24ClNO/c1-25(2,21-11-13-22(26)14-12-21)16-15-20(18-27)19-7-6-10-24(17-19)28-23-8-4-3-5-9-23/h3-14,17,20H,15-16H2,1-2H3