2-[2-(2-chlorophenyl)pyrimidin-5-yl]-3,3-dimethyl-butanoic acid

Systemtic Name: 2-[2-(2-chlorophenyl)pyrimidin-5-yl]-3,3-dimethyl-butanoic acid Openeye Name: 2-[2-(2-chlorophenyl)pyrimidin-5-yl]-3,3-dimethyl-butanoic acid CAS Name: 2-[2-(2-chlorophenyl)-5-pyrimidinyl]-3,3-dimethylbutanoic acid IUPAC Name: 2-[2-(2-chlorophenyl)pyrimidin-5-yl]-3,3-dimethylbutanoic acid Traditional Name: 2-[2-(2-chlorophenyl)pyrimidin-5-yl]-3,3-dimethyl-butyric acid Formula: C16H17ClN2O2 MolecularWeight: 304.77138

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=CN=C(N=C1)C2=CC=CC=C2Cl)C(=O)O

Isomeric SMILES

CC(C)(C)C(C1=CN=C(N=C1)C2=CC=CC=C2Cl)C(=O)O

InChI

InChI=1S/C16H17ClN2O2/c1-16(2,3)13(15(20)21)10-8-18-14(19-9-10)11-6-4-5-7-12(11)17/h4-9,13H,1-3H3,(H,20,21)