2-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-(4-methylsulfanylphenoxy)-3-phenyl-butanoic acid

Systemtic Name: 2-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-(4-methylsulfanylphenoxy)-3-phenyl-butanoic acid Openeye Name: 2-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-(4-methylsulfanylphenoxy)-3-phenyl-butanoic acid CAS Name: 2-[(4,6-dimethoxy-2-pyrimidinyl)methyl]-3-[4-(methylthio)phenoxy]-3-phenylbutanoic acid IUPAC Name: 2-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-(4-methylsulfanylphenoxy)-3-phenylbutanoic acid Traditional Name: 2-[(4,6-dimethoxypyrimidin-2-yl)methyl]-3-[4-(methylthio)phenoxy]-3-phenyl-butyric acid Formula: C24H26N2O5S MolecularWeight: 454.53864

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)(C(CC2=NC(=CC(=N2)OC)OC)C(=O)O)OC3=CC=C(C=C3)SC

Isomeric SMILES

CC(C1=CC=CC=C1)(C(CC2=NC(=CC(=N2)OC)OC)C(=O)O)OC3=CC=C(C=C3)SC

InChI

InChI=1S/C24H26N2O5S/c1-24(16-8-6-5-7-9-16,31-17-10-12-18(32-4)13-11-17)19(23(27)28)14-20-25-21(29-2)15-22(26-20)30-3/h5-13,15,19H,14H2,1-4H3,(H,27,28)