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

Systemtic Name: 3-[(4-carboxyphenyl)methyl]-5-chloranyl-benzimidazole-4-carboxylic acid Openeye Name: 3-[(4-carboxyphenyl)methyl]-5-chloro-benzimidazole-4-carboxylic acid CAS Name: 3-[(4-carboxyphenyl)methyl]-5-chloro-4-benzimidazolecarboxylic acid IUPAC Name: 3-[(4-carboxyphenyl)methyl]-5-chlorobenzimidazole-4-carboxylic acid Traditional Name: 3-(4-carboxybenzyl)-5-chloro-benzimidazole-4-carboxylic acid Formula: C16H11ClN2O4 MolecularWeight: 330.72254

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CN2C=NC3=C2C(=C(C=C3)Cl)C(=O)O)C(=O)O

Isomeric SMILES

C1=CC(=CC=C1CN2C=NC3=C2C(=C(C=C3)Cl)C(=O)O)C(=O)O

InChI

InChI=1S/C16H11ClN2O4/c17-11-5-6-12-14(13(11)16(22)23)19(8-18-12)7-9-1-3-10(4-2-9)15(20)21/h1-6,8H,7H2,(H,20,21)(H,22,23)