(2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-(2-methylpropoxy)-3,3-diphenyl-propanoic acid

Systemtic Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-(2-methylpropoxy)-3,3-diphenyl-propanoic acid Openeye Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-isobutoxy-3,3-diphenyl-propanoic acid CAS Name: (2S)-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-3-(2-methylpropoxy)-3,3-diphenylpropanoic acid IUPAC Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-(2-methylpropoxy)-3,3-diphenylpropanoic acid Traditional Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-isobutoxy-3,3-diphenyl-propionic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC(C)C)C

Isomeric SMILES

CC1=CC(=NC(=N1)O[C@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC(C)C)C

InChI

InChI=1S/C25H28N2O4/c1-17(2)16-30-25(20-11-7-5-8-12-20,21-13-9-6-10-14-21)22(23(28)29)31-24-26-18(3)15-19(4)27-24/h5-15,17,22H,16H2,1-4H3,(H,28,29)/t22-/m1/s1