2-[3-[4-(4-phenyl-6-phenylmethoxy-pyrimidin-2-yl)phenoxy]propyl]propanedioic acid

Systemtic Name: 2-[3-[4-(4-phenyl-6-phenylmethoxy-pyrimidin-2-yl)phenoxy]propyl]propanedioic acid Openeye Name: 2-[3-[4-(4-benzyloxy-6-phenyl-pyrimidin-2-yl)phenoxy]propyl]propanedioic acid CAS Name: 2-[3-[4-(4-phenyl-6-phenylmethoxy-2-pyrimidinyl)phenoxy]propyl]propanedioic acid IUPAC Name: 2-[3-[4-(4-phenyl-6-phenylmethoxypyrimidin-2-yl)phenoxy]propyl]propanedioic acid Traditional Name: 2-[3-[4-(4-benzoxy-6-phenyl-pyrimidin-2-yl)phenoxy]propyl]malonic acid Formula: C29H26N2O6 MolecularWeight: 498.52654

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCCC(C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)COC2=NC(=NC(=C2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCCC(C(=O)O)C(=O)O

InChI

InChI=1S/C29H26N2O6/c32-28(33)24(29(34)35)12-7-17-36-23-15-13-22(14-16-23)27-30-25(21-10-5-2-6-11-21)18-26(31-27)37-19-20-8-3-1-4-9-20/h1-6,8-11,13-16,18,24H,7,12,17,19H2,(H,32,33)(H,34,35)