2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-methyl-4,7-bis(oxidanylidene)benzimidazole-5-carboxylic acid

Systemtic Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-methyl-4,7-bis(oxidanylidene)benzimidazole-5-carboxylic acid Openeye Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-methyl-4,7-dioxo-benzimidazole-5-carboxylic acid CAS Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-methyl-4,7-dioxo-5-benzimidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[4-(2-carboxyphenyl)phenyl]methyl]-6-methyl-4,7-dioxobenzimidazole-5-carboxylic acid Traditional Name: 2-butyl-3-[4-(2-carboxyphenyl)benzyl]-4,7-diketo-6-methyl-benzimidazole-5-carboxylic acid Formula: C27H24N2O6 MolecularWeight: 472.48926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)C(=C(C2=O)C)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)C(=C(C2=O)C)C(=O)O

InChI

InChI=1S/C27H24N2O6/c1-3-4-9-20-28-22-23(25(31)21(27(34)35)15(2)24(22)30)29(20)14-16-10-12-17(13-11-16)18-7-5-6-8-19(18)26(32)33/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,32,33)(H,34,35)