2-butyl-3-[(4-carboxyphenyl)methyl]-6-chloranyl-7-methyl-benzimidazole-4-carboxylic acid

Systemtic Name: 2-butyl-3-[(4-carboxyphenyl)methyl]-6-chloranyl-7-methyl-benzimidazole-4-carboxylic acid Openeye Name: 2-butyl-3-[(4-carboxyphenyl)methyl]-6-chloro-7-methyl-benzimidazole-4-carboxylic acid CAS Name: 2-butyl-3-[(4-carboxyphenyl)methyl]-6-chloro-7-methyl-4-benzimidazolecarboxylic acid IUPAC Name: 2-butyl-3-[(4-carboxyphenyl)methyl]-6-chloro-7-methylbenzimidazole-4-carboxylic acid Traditional Name: 2-butyl-3-(4-carboxybenzyl)-6-chloro-7-methyl-benzimidazole-4-carboxylic acid Formula: C21H21ClN2O4 MolecularWeight: 400.85544

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C(=CC(=C2C)Cl)C(=O)O

Isomeric SMILES

CCCCC1=NC2=C(N1CC3=CC=C(C=C3)C(=O)O)C(=CC(=C2C)Cl)C(=O)O

InChI

InChI=1S/C21H21ClN2O4/c1-3-4-5-17-23-18-12(2)16(22)10-15(21(27)28)19(18)24(17)11-13-6-8-14(9-7-13)20(25)26/h6-10H,3-5,11H2,1-2H3,(H,25,26)(H,27,28)