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

Systemtic Name: 5-butyl-1-[(2-carboxyoxy-3-phenyl-phenyl)methyl]-2-oxidanylidene-3-propyl-imidazole-4-carboxylic acid Openeye Name: 5-butyl-1-[(2-carboxyoxy-3-phenyl-phenyl)methyl]-2-oxo-3-propyl-imidazole-4-carboxylic acid CAS Name: 5-butyl-1-[(2-carboxyoxy-3-phenylphenyl)methyl]-2-oxo-3-propyl-4-imidazolecarboxylic acid IUPAC Name: 5-butyl-1-[(2-carboxyoxy-3-phenylphenyl)methyl]-2-oxo-3-propylimidazole-4-carboxylic acid Traditional Name: 5-butyl-1-(2-carboxyoxy-3-phenyl-benzyl)-2-keto-3-propyl-4-imidazoline-4-carboxylic acid Formula: C25H28N2O6 MolecularWeight: 452.49962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=C(N(C(=O)N1CC2=CC=CC(=C2OC(=O)O)C3=CC=CC=C3)CCC)C(=O)O

Isomeric SMILES

CCCCC1=C(N(C(=O)N1CC2=CC=CC(=C2OC(=O)O)C3=CC=CC=C3)CCC)C(=O)O

InChI

InChI=1S/C25H28N2O6/c1-3-5-14-20-21(23(28)29)26(15-4-2)24(30)27(20)16-18-12-9-13-19(22(18)33-25(31)32)17-10-7-6-8-11-17/h6-13H,3-5,14-16H2,1-2H3,(H,28,29)(H,31,32)