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

Systemtic Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-(3-methylbutoxy)-3,3-diphenyl-propanoic acid Openeye Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-isopentyloxy-3,3-diphenyl-propanoic acid CAS Name: (2S)-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-3-(3-methylbutoxy)-3,3-diphenylpropanoic acid IUPAC Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-(3-methylbutoxy)-3,3-diphenylpropanoic acid Traditional Name: (2S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-isoamoxy-3,3-diphenyl-propionic acid Formula: C26H30N2O4 MolecularWeight: 434.5274

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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)OCCC(C)C)C

Isomeric SMILES

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

InChI

InChI=1S/C26H30N2O4/c1-18(2)15-16-31-26(21-11-7-5-8-12-21,22-13-9-6-10-14-22)23(24(29)30)32-25-27-19(3)17-20(4)28-25/h5-14,17-18,23H,15-16H2,1-4H3,(H,29,30)/t23-/m1/s1