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

Systemtic Name: 2-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxidanylidene-4-phenyl-pyrimidine-5-carboxylic acid Openeye Name: 2-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxo-4-phenyl-pyrimidine-5-carboxylic acid CAS Name: 2-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxo-4-phenyl-5-pyrimidinecarboxylic acid IUPAC Name: 2-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-6-oxo-4-phenylpyrimidine-5-carboxylic acid Traditional Name: 2-butyl-1-[4-(2-carboxyphenyl)benzyl]-6-keto-4-phenyl-pyrimidine-5-carboxylic acid Formula: C29H26N2O5 MolecularWeight: 482.52714

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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)C4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C29H26N2O5/c1-2-3-13-24-30-26(21-9-5-4-6-10-21)25(29(35)36)27(32)31(24)18-19-14-16-20(17-15-19)22-11-7-8-12-23(22)28(33)34/h4-12,14-17H,2-3,13,18H2,1H3,(H,33,34)(H,35,36)