(2S)-2-(4-methylphenyl)-2-pyrimidin-2-yl-ethanoic acid

Systemtic Name: (2S)-2-(4-methylphenyl)-2-pyrimidin-2-yl-ethanoic acid Openeye Name: (2S)-2-(p-tolyl)-2-pyrimidin-2-yl-acetic acid CAS Name: (2S)-2-(4-methylphenyl)-2-(2-pyrimidinyl)acetic acid IUPAC Name: (2S)-2-(4-methylphenyl)-2-pyrimidin-2-ylacetic acid Traditional Name: (2S)-2-(p-tolyl)-2-(2-pyrimidyl)acetic acid Formula: C13H12N2O2 MolecularWeight: 228.24658

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C2=NC=CC=N2)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)[C@@H](C2=NC=CC=N2)C(=O)O

InChI

InChI=1S/C13H12N2O2/c1-9-3-5-10(6-4-9)11(13(16)17)12-14-7-2-8-15-12/h2-8,11H,1H3,(H,16,17)/t11-/m0/s1