methyl 3-pyrimidin-4-ylbenzoate

Systemtic Name: methyl 3-pyrimidin-4-ylbenzoate Openeye Name: methyl 3-pyrimidin-4-ylbenzoate CAS Name: 3-(4-pyrimidinyl)benzoic acid methyl ester IUPAC Name: methyl 3-pyrimidin-4-ylbenzoate Traditional Name: 3-(4-pyrimidyl)benzoic acid methyl ester Formula: C12H10N2O2 MolecularWeight: 214.22

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C2=NC=NC=C2

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C2=NC=NC=C2

InChI

InChI=1S/C12H10N2O2/c1-16-12(15)10-4-2-3-9(7-10)11-5-6-13-8-14-11/h2-8H,1H3