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

Systemtic Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-4-methyl-6-phenyl-4H-pyrimidine-5-carboxylic acid Openeye Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-4-methyl-6-phenyl-4H-pyrimidine-5-carboxylic acid CAS Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-4-methyl-6-phenyl-4H-pyrimidine-5-carboxylic acid IUPAC Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-4-methyl-6-phenyl-4H-pyrimidine-5-carboxylic acid Traditional Name: 2-butyl-3-[4-(2-carboxyphenyl)benzyl]-4-methyl-6-phenyl-4H-pyrimidine-5-carboxylic acid Formula: C30H30N2O4 MolecularWeight: 482.5702

Click to see the large picture

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=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C30H30N2O4/c1-3-4-14-26-31-28(23-10-6-5-7-11-23)27(30(35)36)20(2)32(26)19-21-15-17-22(18-16-21)24-12-8-9-13-25(24)29(33)34/h5-13,15-18,20H,3-4,14,19H2,1-2H3,(H,33,34)(H,35,36)