4-[2-[6-(carboxymethyloxy)naphthalen-2-yl]-6-phenyl-pyrimidin-4-yl]oxybutanoic acid

Systemtic Name: 4-[2-[6-(carboxymethyloxy)naphthalen-2-yl]-6-phenyl-pyrimidin-4-yl]oxybutanoic acid Openeye Name: 4-[2-[6-(carboxymethyloxy)-2-naphthyl]-6-phenyl-pyrimidin-4-yl]oxybutanoic acid CAS Name: 4-[[2-[6-(carboxymethyloxy)-2-naphthalenyl]-6-phenyl-4-pyrimidinyl]oxy]butanoic acid IUPAC Name: 4-[2-[6-(carboxymethyloxy)naphthalen-2-yl]-6-phenylpyrimidin-4-yl]oxybutanoic acid Traditional Name: 4-[2-[6-(carboxymethyloxy)-2-naphthyl]-6-phenyl-pyrimidin-4-yl]oxybutyric acid Formula: C26H22N2O6 MolecularWeight: 458.46268

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC4=C(C=C3)C=C(C=C4)OCC(=O)O)OCCCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC(=NC(=N2)C3=CC4=C(C=C3)C=C(C=C4)OCC(=O)O)OCCCC(=O)O

InChI

InChI=1S/C26H22N2O6/c29-24(30)7-4-12-33-23-15-22(17-5-2-1-3-6-17)27-26(28-23)20-9-8-19-14-21(34-16-25(31)32)11-10-18(19)13-20/h1-3,5-6,8-11,13-15H,4,7,12,16H2,(H,29,30)(H,31,32)