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

Systemtic Name: 6-bromanyl-2-butyl-3-[(4-carboxyphenyl)methyl]benzimidazole-4-carboxylic acid Openeye Name: 6-bromo-2-butyl-3-[(4-carboxyphenyl)methyl]benzimidazole-4-carboxylic acid CAS Name: 6-bromo-2-butyl-3-[(4-carboxyphenyl)methyl]-4-benzimidazolecarboxylic acid IUPAC Name: 6-bromo-2-butyl-3-[(4-carboxyphenyl)methyl]benzimidazole-4-carboxylic acid Traditional Name: 6-bromo-2-butyl-3-(4-carboxybenzyl)benzimidazole-4-carboxylic acid Formula: C20H19BrN2O4 MolecularWeight: 431.27986

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C(=CC(=C2)Br)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C(=CC(=C2)Br)C(=O)O

InChI

InChI=1S/C20H19BrN2O4/c1-2-3-4-17-22-16-10-14(21)9-15(20(26)27)18(16)23(17)11-12-5-7-13(8-6-12)19(24)25/h5-10H,2-4,11H2,1H3,(H,24,25)(H,26,27)