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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=C(N(C1=O)CC2=CC=CC(=C2OC(=O)O)C3=CC=CC=C3)CCC)C(=O)O

Isomeric SMILES

CCCCN1C(=C(N(C1=O)CC2=CC=CC(=C2OC(=O)O)C3=CC=CC=C3)CCC)C(=O)O

InChI

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