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

Systemtic Name: (2S)-3-(2-cyclohexylethoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-propanoic acid Openeye Name: (2S)-3-(2-cyclohexylethoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-propanoic acid CAS Name: (2S)-3-(2-cyclohexylethoxy)-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-3,3-diphenylpropanoic acid IUPAC Name: (2S)-3-(2-cyclohexylethoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid Traditional Name: (2S)-3-(2-cyclohexylethoxy)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-propionic acid Formula: C29H34N2O4 MolecularWeight: 474.59126

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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)OCCC4CCCCC4)C

Isomeric SMILES

CC1=CC(=NC(=N1)O[C@H](C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCC4CCCCC4)C

InChI

InChI=1S/C29H34N2O4/c1-21-20-22(2)31-28(30-21)35-26(27(32)33)29(24-14-8-4-9-15-24,25-16-10-5-11-17-25)34-19-18-23-12-6-3-7-13-23/h4-5,8-11,14-17,20,23,26H,3,6-7,12-13,18-19H2,1-2H3,(H,32,33)/t26-/m1/s1