[2-(2-chlorophenyl)pyrimidin-5-yl] 3,3-dimethylbutanoate

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)CC(=O)OC1=CN=C(N=C1)C2=CC=CC=C2Cl

Isomeric SMILES

CC(C)(C)CC(=O)OC1=CN=C(N=C1)C2=CC=CC=C2Cl

InChI

InChI=1S/C16H17ClN2O2/c1-16(2,3)8-14(20)21-11-9-18-15(19-10-11)12-6-4-5-7-13(12)17/h4-7,9-10H,8H2,1-3H3