4-(4-chlorophenyl)-2-cyano-3,3-dimethyl-butanoic acid

Systemtic Name: 4-(4-chlorophenyl)-2-cyano-3,3-dimethyl-butanoic acid Openeye Name: 4-(4-chlorophenyl)-2-cyano-3,3-dimethyl-butanoic acid CAS Name: 4-(4-chlorophenyl)-2-cyano-3,3-dimethylbutanoic acid IUPAC Name: 4-(4-chlorophenyl)-2-cyano-3,3-dimethylbutanoic acid Traditional Name: 4-(4-chlorophenyl)-2-cyano-3,3-dimethyl-butyric acid Formula: C13H14ClNO2 MolecularWeight: 251.70876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC=C(C=C1)Cl)C(C#N)C(=O)O

Isomeric SMILES

CC(C)(CC1=CC=C(C=C1)Cl)C(C#N)C(=O)O

InChI

InChI=1S/C13H14ClNO2/c1-13(2,11(8-15)12(16)17)7-9-3-5-10(14)6-4-9/h3-6,11H,7H2,1-2H3,(H,16,17)