2-butyl-3-[[6-(2-carboxyphenyl)pyridin-3-yl]methyl]benzimidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-[[6-(2-carboxyphenyl)pyridin-3-yl]methyl]benzimidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[[6-(2-carboxyphenyl)-3-pyridyl]methyl]benzimidazole-4-carboxylic acid CAS Name: 2-butyl-3-[[6-(2-carboxyphenyl)-3-pyridinyl]methyl]-4-benzimidazolecarboxylic acid IUPAC Name: 2-butyl-3-[[6-(2-carboxyphenyl)pyridin-3-yl]methyl]benzimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-[[6-(2-carboxyphenyl)-3-pyridyl]methyl]benzimidazole-4-carboxylic acid Formula: C25H23N3O4 MolecularWeight: 429.46782

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=CC=CC(=C2N1CC3=CN=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)O

Isomeric SMILES

CCCCC1=NC2=CC=CC(=C2N1CC3=CN=C(C=C3)C4=CC=CC=C4C(=O)O)C(=O)O

InChI

InChI=1S/C25H23N3O4/c1-2-3-11-22-27-21-10-6-9-19(25(31)32)23(21)28(22)15-16-12-13-20(26-14-16)17-7-4-5-8-18(17)24(29)30/h4-10,12-14H,2-3,11,15H2,1H3,(H,29,30)(H,31,32)