2-ethyl-1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid

Systemtic Name: 2-ethyl-1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid Openeye Name: 2-ethyl-1-(3-pyridylmethyl)benzimidazole-5-carboxylic acid CAS Name: 2-ethyl-1-(3-pyridinylmethyl)-5-benzimidazolecarboxylic acid IUPAC Name: 2-ethyl-1-(pyridin-3-ylmethyl)benzimidazole-5-carboxylic acid Traditional Name: 2-ethyl-1-(3-pyridylmethyl)benzimidazole-5-carboxylic acid Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=C(N1CC3=CN=CC=C3)C=CC(=C2)C(=O)O

Isomeric SMILES

CCC1=NC2=C(N1CC3=CN=CC=C3)C=CC(=C2)C(=O)O

InChI

InChI=1S/C16H15N3O2/c1-2-15-18-13-8-12(16(20)21)5-6-14(13)19(15)10-11-4-3-7-17-9-11/h3-9H,2,10H2,1H3,(H,20,21)