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

Systemtic Name: 3-[2-[(4-chlorophenyl)amino]-2-oxidanylidene-ethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-propanoic acid Openeye Name: 3-[2-(4-chloroanilino)-2-oxo-ethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-propanoic acid CAS Name: 3-[2-(4-chloroanilino)-2-oxoethoxy]-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-3,3-diphenylpropanoic acid IUPAC Name: 3-[2-(4-chloroanilino)-2-oxoethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid Traditional Name: 3-[2-(4-chloroanilino)-2-keto-ethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-propionic acid Formula: C29H26ClN3O5 MolecularWeight: 531.98684

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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(=O)NC4=CC=C(C=C4)Cl)C

Isomeric SMILES

CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC(=O)NC4=CC=C(C=C4)Cl)C

InChI

InChI=1S/C29H26ClN3O5/c1-19-17-20(2)32-28(31-19)38-26(27(35)36)29(21-9-5-3-6-10-21,22-11-7-4-8-12-22)37-18-25(34)33-24-15-13-23(30)14-16-24/h3-17,26H,18H2,1-2H3,(H,33,34)(H,35,36)