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

Systemtic Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxidanylidene-ethoxy]-2-(4-methoxy-6-methyl-pyrimidin-2-yl)oxy-3,3-diphenyl-propanoic acid Openeye Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]-2-(4-methoxy-6-methyl-pyrimidin-2-yl)oxy-3,3-diphenyl-propanoic acid CAS Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-2-[(4-methoxy-6-methyl-2-pyrimidinyl)oxy]-3,3-diphenylpropanoic acid IUPAC Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethoxy]-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid Traditional Name: 3-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-keto-ethoxy]-2-(4-methoxy-6-methyl-pyrimidin-2-yl)oxy-3,3-diphenyl-propionic acid Formula: C32H31N3O6 MolecularWeight: 553.60504

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)N4CCC5=CC=CC=C5C4)OC

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)OC

InChI

InChI=1S/C32H31N3O6/c1-22-19-27(39-2)34-31(33-22)41-29(30(37)38)32(25-13-5-3-6-14-25,26-15-7-4-8-16-26)40-21-28(36)35-18-17-23-11-9-10-12-24(23)20-35/h3-16,19,29H,17-18,20-21H2,1-2H3,(H,37,38)