3-[(4-chloranylisoquinolin-3-yl)methyl]-2-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 3-[(4-chloranylisoquinolin-3-yl)methyl]-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 3-[(4-chloro-3-isoquinolyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 3-[(4-chloro-3-isoquinolinyl)methyl]-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 3-[(4-chloroisoquinolin-3-yl)methyl]-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 3-[(4-chloro-3-isoquinolyl)methyl]-2-methyl-benzimidazole-5-carboxylic acid Formula: C19H14ClN3O2 MolecularWeight: 351.78636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=C(C4=CC=CC=C4C=N3)Cl)C=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1CC3=C(C4=CC=CC=C4C=N3)Cl)C=C(C=C2)C(=O)O

InChI

InChI=1S/C19H14ClN3O2/c1-11-22-15-7-6-12(19(24)25)8-17(15)23(11)10-16-18(20)14-5-3-2-4-13(14)9-21-16/h2-9H,10H2,1H3,(H,24,25)