methyl 4-(4-cyano-6-phenyl-pyrimidin-2-yl)oxybenzoate

Systemtic Name: methyl 4-(4-cyano-6-phenyl-pyrimidin-2-yl)oxybenzoate Openeye Name: methyl 4-(4-cyano-6-phenyl-pyrimidin-2-yl)oxybenzoate CAS Name: 4-[(4-cyano-6-phenyl-2-pyrimidinyl)oxy]benzoic acid methyl ester IUPAC Name: methyl 4-(4-cyano-6-phenylpyrimidin-2-yl)oxybenzoate Traditional Name: 4-(4-cyano-6-phenyl-pyrimidin-2-yl)oxybenzoic acid methyl ester Formula: C19H13N3O3 MolecularWeight: 331.32482

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC2=NC(=CC(=N2)C3=CC=CC=C3)C#N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC2=NC(=CC(=N2)C3=CC=CC=C3)C#N

InChI

InChI=1S/C19H13N3O3/c1-24-18(23)14-7-9-16(10-8-14)25-19-21-15(12-20)11-17(22-19)13-5-3-2-4-6-13/h2-11H,1H3