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

Systemtic Name: 2-[[4-(2-carboxyphenyl)phenyl]methyl]-6-methyl-4-oxidanylidene-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-[[4-(2-carboxyphenyl)phenyl]methyl]-6-methyl-4-oxo-1H-pyrimidine-5-carboxylic acid CAS Name: 2-[[4-(2-carboxyphenyl)phenyl]methyl]-6-methyl-4-oxo-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[[4-(2-carboxyphenyl)phenyl]methyl]-6-methyl-4-oxo-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(2-carboxyphenyl)benzyl]-4-keto-6-methyl-1H-pyrimidine-5-carboxylic acid Formula: C20H16N2O5 MolecularWeight: 364.35144

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N=C(N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O

Isomeric SMILES

CC1=C(C(=O)N=C(N1)CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C(=O)O

InChI

InChI=1S/C20H16N2O5/c1-11-17(20(26)27)18(23)22-16(21-11)10-12-6-8-13(9-7-12)14-4-2-3-5-15(14)19(24)25/h2-9H,10H2,1H3,(H,24,25)(H,26,27)(H,21,22,23)