3-[2-(1,3-benzodioxol-5-yl)ethoxy]-2-(4-methoxy-6-methyl-pyrimidin-2-yl)oxy-3,3-diphenyl-propanoic acid

Systemtic Name: 3-[2-(1,3-benzodioxol-5-yl)ethoxy]-2-(4-methoxy-6-methyl-pyrimidin-2-yl)oxy-3,3-diphenyl-propanoic acid Openeye Name: 3-[2-(1,3-benzodioxol-5-yl)ethoxy]-2-(4-methoxy-6-methyl-pyrimidin-2-yl)oxy-3,3-diphenyl-propanoic acid CAS Name: 3-[2-(1,3-benzodioxol-5-yl)ethoxy]-2-[(4-methoxy-6-methyl-2-pyrimidinyl)oxy]-3,3-diphenylpropanoic acid IUPAC Name: 3-[2-(1,3-benzodioxol-5-yl)ethoxy]-2-(4-methoxy-6-methylpyrimidin-2-yl)oxy-3,3-diphenylpropanoic acid Traditional Name: 3-homopiperonyloxy-2-(4-methoxy-6-methyl-pyrimidin-2-yl)oxy-3,3-diphenyl-propionic acid Formula: C30H28N2O7 MolecularWeight: 528.55252

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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)OCCC4=CC5=C(C=C4)OCO5)OC

Isomeric SMILES

CC1=CC(=NC(=N1)OC(C(=O)O)C(C2=CC=CC=C2)(C3=CC=CC=C3)OCCC4=CC5=C(C=C4)OCO5)OC

InChI

InChI=1S/C30H28N2O7/c1-20-17-26(35-2)32-29(31-20)39-27(28(33)34)30(22-9-5-3-6-10-22,23-11-7-4-8-12-23)38-16-15-21-13-14-24-25(18-21)37-19-36-24/h3-14,17-18,27H,15-16,19H2,1-2H3,(H,33,34)