2-[5-(2-carboxyethyl)-4-oxidanylidene-2-phenyl-1H-pyrimidin-6-yl]benzoic acid

Systemtic Name: 2-[5-(2-carboxyethyl)-4-oxidanylidene-2-phenyl-1H-pyrimidin-6-yl]benzoic acid Openeye Name: 2-[5-(2-carboxyethyl)-4-oxo-2-phenyl-1H-pyrimidin-6-yl]benzoic acid CAS Name: 2-[5-(2-carboxyethyl)-4-oxo-2-phenyl-1H-pyrimidin-6-yl]benzoic acid IUPAC Name: 2-[5-(2-carboxyethyl)-4-oxo-2-phenyl-1H-pyrimidin-6-yl]benzoic acid Traditional Name: 2-[5-(2-carboxyethyl)-4-keto-2-phenyl-1H-pyrimidin-6-yl]benzoic acid Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NC(=O)C(=C(N2)C3=CC=CC=C3C(=O)O)CCC(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=NC(=O)C(=C(N2)C3=CC=CC=C3C(=O)O)CCC(=O)O

InChI

InChI=1S/C20H16N2O5/c23-16(24)11-10-15-17(13-8-4-5-9-14(13)20(26)27)21-18(22-19(15)25)12-6-2-1-3-7-12/h1-9H,10-11H2,(H,23,24)(H,26,27)(H,21,22,25)