5-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-oxidanylidene-3-propyl-imidazole-4-carboxylic acid

Systemtic Name: 5-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-oxidanylidene-3-propyl-imidazole-4-carboxylic acid Openeye Name: 5-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-oxo-3-propyl-imidazole-4-carboxylic acid CAS Name: 5-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-oxo-3-propyl-4-imidazolecarboxylic acid IUPAC Name: 5-butyl-1-[[4-(2-carboxyphenyl)phenyl]methyl]-2-oxo-3-propylimidazole-4-carboxylic acid Traditional Name: 5-butyl-1-[4-(2-carboxyphenyl)benzyl]-2-keto-3-propyl-4-imidazoline-4-carboxylic acid Formula: C25H28N2O5 MolecularWeight: 436.50022

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC)C(=O)O

Isomeric SMILES

CCCCC1=C(N(C(=O)N1CC2=CC=C(C=C2)C3=CC=CC=C3C(=O)O)CCC)C(=O)O

InChI

InChI=1S/C25H28N2O5/c1-3-5-10-21-22(24(30)31)26(15-4-2)25(32)27(21)16-17-11-13-18(14-12-17)19-8-6-7-9-20(19)23(28)29/h6-9,11-14H,3-5,10,15-16H2,1-2H3,(H,28,29)(H,30,31)