2-(4-chlorophenyl)carbonyl-2-(1H-indol-3-yl)-3,3-dimethyl-butanoic acid

Systemtic Name: 2-(4-chlorophenyl)carbonyl-2-(1H-indol-3-yl)-3,3-dimethyl-butanoic acid Openeye Name: 2-(4-chlorobenzoyl)-2-(1H-indol-3-yl)-3,3-dimethyl-butanoic acid CAS Name: 2-[(4-chlorophenyl)-oxomethyl]-2-(1H-indol-3-yl)-3,3-dimethylbutanoic acid IUPAC Name: 2-(4-chlorobenzoyl)-2-(1H-indol-3-yl)-3,3-dimethylbutanoic acid Traditional Name: 2-(4-chlorobenzoyl)-2-(1H-indol-3-yl)-3,3-dimethyl-butyric acid Formula: C21H20ClNO3 MolecularWeight: 369.8414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=CNC2=CC=CC=C21)(C(=O)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

CC(C)(C)C(C1=CNC2=CC=CC=C21)(C(=O)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C21H20ClNO3/c1-20(2,3)21(19(25)26,18(24)13-8-10-14(22)11-9-13)16-12-23-17-7-5-4-6-15(16)17/h4-12,23H,1-3H3,(H,25,26)