(2S)-2-(3,4-dimethoxyphenyl)-2-pyrimidin-2-yl-ethanoic acid

Systemtic Name: (2S)-2-(3,4-dimethoxyphenyl)-2-pyrimidin-2-yl-ethanoic acid Openeye Name: (2S)-2-(3,4-dimethoxyphenyl)-2-pyrimidin-2-yl-acetic acid CAS Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(2-pyrimidinyl)acetic acid IUPAC Name: (2S)-2-(3,4-dimethoxyphenyl)-2-pyrimidin-2-ylacetic acid Traditional Name: (2S)-2-(3,4-dimethoxyphenyl)-2-(2-pyrimidyl)acetic acid Formula: C14H14N2O4 MolecularWeight: 274.27196

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(C2=NC=CC=N2)C(=O)O)OC

Isomeric SMILES

COC1=C(C=C(C=C1)[C@@H](C2=NC=CC=N2)C(=O)O)OC

InChI

InChI=1S/C14H14N2O4/c1-19-10-5-4-9(8-11(10)20-2)12(14(17)18)13-15-6-3-7-16-13/h3-8,12H,1-2H3,(H,17,18)/t12-/m0/s1