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

Systemtic Name: 2-[[4-(2-carboxyphenyl)phenyl]methyl]-6-chloranyl-4,4-dimethyl-1H-pyrimidine-5-carboxylic acid Openeye Name: 2-[[4-(2-carboxyphenyl)phenyl]methyl]-6-chloro-4,4-dimethyl-1H-pyrimidine-5-carboxylic acid CAS Name: 2-[[4-(2-carboxyphenyl)phenyl]methyl]-6-chloro-4,4-dimethyl-1H-pyrimidine-5-carboxylic acid IUPAC Name: 2-[[4-(2-carboxyphenyl)phenyl]methyl]-6-chloro-4,4-dimethyl-1H-pyrimidine-5-carboxylic acid Traditional Name: 2-[4-(2-carboxyphenyl)benzyl]-6-chloro-4,4-dimethyl-1H-pyrimidine-5-carboxylic acid Formula: C21H19ClN2O4 MolecularWeight: 398.83956

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN2O4/c1-21(2)17(20(27)28)18(22)23-16(24-21)11-12-7-9-13(10-8-12)14-5-3-4-6-15(14)19(25)26/h3-10H,11H2,1-2H3,(H,23,24)(H,25,26)(H,27,28)