2-(4-chlorophenyl)-2-(2-cyanophenoxy)-3,3-dimethyl-4-phenyl-butanoic acid

Systemtic Name: 2-(4-chlorophenyl)-2-(2-cyanophenoxy)-3,3-dimethyl-4-phenyl-butanoic acid Openeye Name: 2-(4-chlorophenyl)-2-(2-cyanophenoxy)-3,3-dimethyl-4-phenyl-butanoic acid CAS Name: 2-(4-chlorophenyl)-2-(2-cyanophenoxy)-3,3-dimethyl-4-phenylbutanoic acid IUPAC Name: 2-(4-chlorophenyl)-2-(2-cyanophenoxy)-3,3-dimethyl-4-phenylbutanoic acid Traditional Name: 2-(4-chlorophenyl)-2-(2-cyanophenoxy)-3,3-dimethyl-4-phenyl-butyric acid Formula: C25H22ClNO3 MolecularWeight: 419.90008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=CC=C1)C(C2=CC=C(C=C2)Cl)(C(=O)O)OC3=CC=CC=C3C#N

Isomeric SMILES

CC(C)(CC1=CC=CC=C1)C(C2=CC=C(C=C2)Cl)(C(=O)O)OC3=CC=CC=C3C#N

InChI

InChI=1S/C25H22ClNO3/c1-24(2,16-18-8-4-3-5-9-18)25(23(28)29,20-12-14-21(26)15-13-20)30-22-11-7-6-10-19(22)17-27/h3-15H,16H2,1-2H3,(H,28,29)