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

Systemtic Name: 2-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxidanylidene-pyrimidine-5-carboxylic acid Openeye Name: 2-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxo-pyrimidine-5-carboxylic acid CAS Name: 2-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxo-5-pyrimidinecarboxylic acid IUPAC Name: 2-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxopyrimidine-5-carboxylic acid Traditional Name: 2-butyl-1-[4-(2-carboxyphenyl)benzyl]-6-keto-pyrimidine-5-carboxylic acid Formula: C23H22N2O5 MolecularWeight: 406.43118

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H22N2O5/c1-2-3-8-20-24-13-19(23(29)30)21(26)25(20)14-15-9-11-16(12-10-15)17-6-4-5-7-18(17)22(27)28/h4-7,9-13H,2-3,8,14H2,1H3,(H,27,28)(H,29,30)