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

Systemtic Name: 2-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-6-chloranyl-4,4-dimethyl-pyrimidine-5-carboxylic acid Openeye Name: 2-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-6-chloro-4,4-dimethyl-pyrimidine-5-carboxylic acid CAS Name: 2-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-6-chloro-4,4-dimethyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-6-chloro-4,4-dimethylpyrimidine-5-carboxylic acid Traditional Name: 2-butyl-1-[4-(2-carboxyphenyl)benzyl]-6-chloro-4,4-dimethyl-pyrimidine-5-carboxylic acid Formula: C25H27ClN2O4 MolecularWeight: 454.94588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC(C(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)Cl)C(=O)O)(C)C

Isomeric SMILES

CCCCC1=NC(C(=C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)Cl)C(=O)O)(C)C

InChI

InChI=1S/C25H27ClN2O4/c1-4-5-10-20-27-25(2,3)21(24(31)32)22(26)28(20)15-16-11-13-17(14-12-16)18-8-6-7-9-19(18)23(29)30/h6-9,11-14H,4-5,10,15H2,1-3H3,(H,29,30)(H,31,32)