4-[5-[3-(4-chloranylphenoxy)phenyl]-2-methyl-pentan-2-yl]benzenecarbonitrile

Systemtic Name: 4-[5-[3-(4-chloranylphenoxy)phenyl]-2-methyl-pentan-2-yl]benzenecarbonitrile Openeye Name: 4-[4-[3-(4-chlorophenoxy)phenyl]-1,1-dimethyl-butyl]benzonitrile CAS Name: 4-[5-[3-(4-chlorophenoxy)phenyl]-2-methylpentan-2-yl]benzonitrile IUPAC Name: 4-[5-[3-(4-chlorophenoxy)phenyl]-2-methylpentan-2-yl]benzonitrile Traditional Name: 4-[4-[3-(4-chlorophenoxy)phenyl]-1,1-dimethyl-butyl]benzonitrile Formula: C25H24ClNO MolecularWeight: 389.91716

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CCCC1=CC(=CC=C1)OC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C#N

Isomeric SMILES

CC(C)(CCCC1=CC(=CC=C1)OC2=CC=C(C=C2)Cl)C3=CC=C(C=C3)C#N

InChI

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