1-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxidanylidene-4-phenyl-pyrimidine-5-carboxylic acid

Systemtic Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxidanylidene-4-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxo-4-phenyl-pyrimidine-5-carboxylic acid CAS Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxo-4-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 1-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxo-4-phenylpyrimidine-5-carboxylic acid Traditional Name: 1-[4-(2-carboxyphenyl)benzyl]-6-keto-4-phenyl-pyrimidine-5-carboxylic acid Formula: C25H18N2O5 MolecularWeight: 426.42082

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C(=O)N(C=N2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C(=O)N(C=N2)CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)O

InChI

InChI=1S/C25H18N2O5/c28-23-21(25(31)32)22(18-6-2-1-3-7-18)26-15-27(23)14-16-10-12-17(13-11-16)19-8-4-5-9-20(19)24(29)30/h1-13,15H,14H2,(H,29,30)(H,31,32)