3-(3-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3-phenyl-propanoic acid

Systemtic Name: 3-(3-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3-phenyl-propanoic acid Openeye Name: 3-(3-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3-phenyl-propanoic acid CAS Name: 3-(3-chlorophenyl)-2-[(4,6-dimethoxy-2-pyrimidinyl)oxy]-3-methoxy-3-phenylpropanoic acid IUPAC Name: 3-(3-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3-phenylpropanoic acid Traditional Name: 3-(3-chlorophenyl)-2-(4,6-dimethoxypyrimidin-2-yl)oxy-3-methoxy-3-phenyl-propionic acid Formula: C22H21ClN2O6 MolecularWeight: 444.86494

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC(=CC=C3)Cl)OC)OC

Isomeric SMILES

COC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC(=CC=C3)Cl)OC)OC

InChI

InChI=1S/C22H21ClN2O6/c1-28-17-13-18(29-2)25-21(24-17)31-19(20(26)27)22(30-3,14-8-5-4-6-9-14)15-10-7-11-16(23)12-15/h4-13,19H,1-3H3,(H,26,27)