2-butyl-3-[(4-carboxyphenyl)methyl]-6-chloranyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-butyl-3-[(4-carboxyphenyl)methyl]-6-chloranyl-benzimidazole-5-carboxylic acid Openeye Name: 2-butyl-3-[(4-carboxyphenyl)methyl]-6-chloro-benzimidazole-5-carboxylic acid CAS Name: 2-butyl-3-[(4-carboxyphenyl)methyl]-6-chloro-5-benzimidazolecarboxylic acid IUPAC Name: 2-butyl-3-[(4-carboxyphenyl)methyl]-6-chlorobenzimidazole-5-carboxylic acid Traditional Name: 2-butyl-3-(4-carboxybenzyl)-6-chloro-benzimidazole-5-carboxylic acid Formula: C20H19ClN2O4 MolecularWeight: 386.82886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19ClN2O4/c1-2-3-4-18-22-16-10-15(21)14(20(26)27)9-17(16)23(18)11-12-5-7-13(8-6-12)19(24)25/h5-10H,2-4,11H2,1H3,(H,24,25)(H,26,27)