2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-(4-chlorophenyl)-4-methyl-4H-pyrimidine-5-carboxylic acid

Systemtic Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-(4-chlorophenyl)-4-methyl-4H-pyrimidine-5-carboxylic acid Openeye Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-(4-chlorophenyl)-4-methyl-4H-pyrimidine-5-carboxylic acid CAS Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-(4-chlorophenyl)-4-methyl-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-(4-chlorophenyl)-4-methyl-4H-pyrimidine-5-carboxylic acid Traditional Name: 2-butyl-3-[4-(2-carboxyphenyl)benzyl]-6-(4-chlorophenyl)-4-methyl-4H-pyrimidine-5-carboxylic acid Formula: C30H29ClN2O4 MolecularWeight: 517.01526

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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)C)C(=O)O)C4=CC=C(C=C4)Cl

Isomeric SMILES

CCCCC1=NC(=C(C(N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)C)C(=O)O)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C30H29ClN2O4/c1-3-4-9-26-32-28(22-14-16-23(31)17-15-22)27(30(36)37)19(2)33(26)18-20-10-12-21(13-11-20)24-7-5-6-8-25(24)29(34)35/h5-8,10-17,19H,3-4,9,18H2,1-2H3,(H,34,35)(H,36,37)