3-(isoquinolin-3-ylmethyl)-2-methyl-benzimidazole-5-carboxylic acid

Systemtic Name: 3-(isoquinolin-3-ylmethyl)-2-methyl-benzimidazole-5-carboxylic acid Openeye Name: 3-(3-isoquinolylmethyl)-2-methyl-benzimidazole-5-carboxylic acid CAS Name: 3-(3-isoquinolinylmethyl)-2-methyl-5-benzimidazolecarboxylic acid IUPAC Name: 3-(isoquinolin-3-ylmethyl)-2-methylbenzimidazole-5-carboxylic acid Traditional Name: 3-(3-isoquinolylmethyl)-2-methyl-benzimidazole-5-carboxylic acid Formula: C19H15N3O2 MolecularWeight: 317.3413

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(N1CC3=CC4=CC=CC=C4C=N3)C=C(C=C2)C(=O)O

Isomeric SMILES

CC1=NC2=C(N1CC3=CC4=CC=CC=C4C=N3)C=C(C=C2)C(=O)O

InChI

InChI=1S/C19H15N3O2/c1-12-21-17-7-6-14(19(23)24)9-18(17)22(12)11-16-8-13-4-2-3-5-15(13)10-20-16/h2-10H,11H2,1H3,(H,23,24)