2-[4-bromanyl-2-methyl-6-(2,4,6-trimethylphenoxy)pyrimidin-5-yl]propanoic acid

Systemtic Name: 2-[4-bromanyl-2-methyl-6-(2,4,6-trimethylphenoxy)pyrimidin-5-yl]propanoic acid Openeye Name: 2-[4-bromo-2-methyl-6-(2,4,6-trimethylphenoxy)pyrimidin-5-yl]propanoic acid CAS Name: 2-[4-bromo-2-methyl-6-(2,4,6-trimethylphenoxy)-5-pyrimidinyl]propanoic acid IUPAC Name: 2-[4-bromo-2-methyl-6-(2,4,6-trimethylphenoxy)pyrimidin-5-yl]propanoic acid Traditional Name: 2-[4-bromo-2-methyl-6-(2,4,6-trimethylphenoxy)pyrimidin-5-yl]propionic acid Formula: C17H19BrN2O3 MolecularWeight: 379.24836

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OC2=C(C(=NC(=N2)C)Br)C(C)C(=O)O)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OC2=C(C(=NC(=N2)C)Br)C(C)C(=O)O)C

InChI

InChI=1S/C17H19BrN2O3/c1-8-6-9(2)14(10(3)7-8)23-16-13(11(4)17(21)22)15(18)19-12(5)20-16/h6-7,11H,1-5H3,(H,21,22)