(2S,3S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-phenyl-3-(3-phenylpropoxy)butanoic acid

Systemtic Name: (2S,3S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-phenyl-3-(3-phenylpropoxy)butanoic acid Openeye Name: (2S,3S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-phenyl-3-(3-phenylpropoxy)butanoic acid CAS Name: (2S,3S)-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-3-phenyl-3-(3-phenylpropoxy)butanoic acid IUPAC Name: (2S,3S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-phenyl-3-(3-phenylpropoxy)butanoic acid Traditional Name: (2S,3S)-2-(4,6-dimethylpyrimidin-2-yl)oxy-3-phenyl-3-(3-phenylpropoxy)butyric 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(C)(C2=CC=CC=C2)OCCCC3=CC=CC=C3)C

Isomeric SMILES

CC1=CC(=NC(=N1)O[C@H](C(=O)O)[C@](C)(C2=CC=CC=C2)OCCCC3=CC=CC=C3)C

InChI

InChI=1S/C25H28N2O4/c1-18-17-19(2)27-24(26-18)31-22(23(28)29)25(3,21-14-8-5-9-15-21)30-16-10-13-20-11-6-4-7-12-20/h4-9,11-12,14-15,17,22H,10,13,16H2,1-3H3,(H,28,29)/t22-,25+/m1/s1