4-[2-butyl-3-(3-carboxyoxy-2-methyl-4-phenyl-phenyl)benzimidazol-5-yl]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[2-butyl-3-(3-carboxyoxy-2-methyl-4-phenyl-phenyl)benzimidazol-5-yl]-4-oxidanylidene-butanoic acid Openeye Name: 4-[2-butyl-3-(3-carboxyoxy-2-methyl-4-phenyl-phenyl)benzimidazol-5-yl]-4-oxo-butanoic acid CAS Name: 4-[2-butyl-3-(3-carboxyoxy-2-methyl-4-phenylphenyl)-5-benzimidazolyl]-4-oxobutanoic acid IUPAC Name: 4-[2-butyl-3-(3-carboxyoxy-2-methyl-4-phenylphenyl)benzimidazol-5-yl]-4-oxobutanoic acid Traditional Name: 4-[2-butyl-3-(3-carboxyoxy-2-methyl-4-phenyl-phenyl)benzimidazol-5-yl]-4-keto-butyric acid Formula: C29H28N2O6 MolecularWeight: 500.54242

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)C(=O)CCC(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1C3=C(C(=C(C=C3)C4=CC=CC=C4)OC(=O)O)C)C=C(C=C2)C(=O)CCC(=O)O

InChI

InChI=1S/C29H28N2O6/c1-3-4-10-26-30-22-13-11-20(25(32)15-16-27(33)34)17-24(22)31(26)23-14-12-21(19-8-6-5-7-9-19)28(18(23)2)37-29(35)36/h5-9,11-14,17H,3-4,10,15-16H2,1-2H3,(H,33,34)(H,35,36)