2-ethyl-1-(pyridin-4-ylmethyl)benzimidazole-5-carboxylic acid

Systemtic Name: 2-ethyl-1-(pyridin-4-ylmethyl)benzimidazole-5-carboxylic acid Openeye Name: 2-ethyl-1-(4-pyridylmethyl)benzimidazole-5-carboxylic acid CAS Name: 2-ethyl-1-(pyridin-4-ylmethyl)-5-benzimidazolecarboxylic acid IUPAC Name: 2-ethyl-1-(pyridin-4-ylmethyl)benzimidazole-5-carboxylic acid Traditional Name: 2-ethyl-1-(4-pyridylmethyl)benzimidazole-5-carboxylic acid Formula: C16H15N3O2 MolecularWeight: 281.3092

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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