3,3-dimethyl-2-(2-phenylpyrimidin-5-yl)butanoate

Systemtic Name: 3,3-dimethyl-2-(2-phenylpyrimidin-5-yl)butanoate Openeye Name: 3,3-dimethyl-2-(2-phenylpyrimidin-5-yl)butanoate CAS Name: 3,3-dimethyl-2-(2-phenyl-5-pyrimidinyl)butanoate IUPAC Name: 3,3-dimethyl-2-(2-phenylpyrimidin-5-yl)butanoate Traditional Name: 3,3-dimethyl-2-(2-phenylpyrimidin-5-yl)butyrate Formula: C16H17N2O2- MolecularWeight: 269.31838

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C(C1=CN=C(N=C1)C2=CC=CC=C2)C(=O)[O-]

Isomeric SMILES

CC(C)(C)C(C1=CN=C(N=C1)C2=CC=CC=C2)C(=O)[O-]

InChI

InChI=1S/C16H18N2O2/c1-16(2,3)13(15(19)20)12-9-17-14(18-10-12)11-7-5-4-6-8-11/h4-10,13H,1-3H3,(H,19,20)/p-1