2,4-bis(oxidanylidene)-4-[5-(phenylmethyl)-2-pyrimidin-2-yloxy-phenyl]butanoic acid

Systemtic Name: 2,4-bis(oxidanylidene)-4-[5-(phenylmethyl)-2-pyrimidin-2-yloxy-phenyl]butanoic acid Openeye Name: 4-(5-benzyl-2-pyrimidin-2-yloxy-phenyl)-2,4-dioxo-butanoic acid CAS Name: 2,4-dioxo-4-[5-(phenylmethyl)-2-(2-pyrimidinyloxy)phenyl]butanoic acid IUPAC Name: 4-(5-benzyl-2-pyrimidin-2-yloxyphenyl)-2,4-dioxobutanoic acid Traditional Name: 4-[5-benzyl-2-(2-pyrimidyloxy)phenyl]-2,4-diketo-butyric acid Formula: C21H16N2O5 MolecularWeight: 376.36214

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC(=C(C=C2)OC3=NC=CC=N3)C(=O)CC(=O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC(=C(C=C2)OC3=NC=CC=N3)C(=O)CC(=O)C(=O)O

InChI

InChI=1S/C21H16N2O5/c24-17(13-18(25)20(26)27)16-12-15(11-14-5-2-1-3-6-14)7-8-19(16)28-21-22-9-4-10-23-21/h1-10,12H,11,13H2,(H,26,27)