3-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-propanoic acid

Systemtic Name: 3-[2-(4-bromophenyl)-2-oxidanylidene-ethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-propanoic acid Openeye Name: 3-[2-(4-bromophenyl)-2-oxo-ethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-propanoic acid CAS Name: 3-[2-(4-bromophenyl)-2-oxoethoxy]-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-3,3-diphenylpropanoic acid IUPAC Name: 3-[2-(4-bromophenyl)-2-oxoethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid Traditional Name: 3-[2-(4-bromophenyl)-2-keto-ethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-propionic acid Formula: C29H25BrN2O5 MolecularWeight: 561.4232

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC(=O)C4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC(=O)C4=CC=C(C=C4)Br)C

InChI

InChI=1S/C29H25BrN2O5/c1-19-17-20(2)32-28(31-19)37-26(27(34)35)29(22-9-5-3-6-10-22,23-11-7-4-8-12-23)36-18-25(33)21-13-15-24(30)16-14-21/h3-17,26H,18H2,1-2H3,(H,34,35)