3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-propanoic acid

Systemtic Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-propanoic acid Openeye Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-propanoic acid CAS Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-2-[(4,6-dimethyl-2-pyrimidinyl)oxy]-3,3-diphenylpropanoic acid IUPAC Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid Traditional Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]-2-(4,6-dimethylpyrimidin-2-yl)oxy-3,3-diphenyl-propionic acid Formula: C32H31N3O5 MolecularWeight: 537.60564

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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)N4CCC5=CC=CC=C5C4)C

Isomeric SMILES

CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCC(=O)N4CCC5=CC=CC=C5C4)C

InChI

InChI=1S/C32H31N3O5/c1-22-19-23(2)34-31(33-22)40-29(30(37)38)32(26-13-5-3-6-14-26,27-15-7-4-8-16-27)39-21-28(36)35-18-17-24-11-9-10-12-25(24)20-35/h3-16,19,29H,17-18,20-21H2,1-2H3,(H,37,38)