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

Systemtic Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-4,6-dimethyl-4H-pyrimidine-5-carboxylic acid Openeye Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-4,6-dimethyl-4H-pyrimidine-5-carboxylic acid CAS Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-4,6-dimethyl-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-4,6-dimethyl-4H-pyrimidine-5-carboxylic acid Traditional Name: 2-butyl-3-[4-(2-carboxyphenyl)benzyl]-4,6-dimethyl-4H-pyrimidine-5-carboxylic acid Formula: C25H28N2O4 MolecularWeight: 420.50082

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C25H28N2O4/c1-4-5-10-22-26-16(2)23(25(30)31)17(3)27(22)15-18-11-13-19(14-12-18)20-8-6-7-9-21(20)24(28)29/h6-9,11-14,17H,4-5,10,15H2,1-3H3,(H,28,29)(H,30,31)