5-[(4-methylimidazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 5-[(4-methylimidazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 5-[(4-methylimidazol-1-yl)methyl]benzofuran-2-carboxylic acid CAS Name: 5-[(4-methyl-1-imidazolyl)methyl]-2-benzofurancarboxylic acid IUPAC Name: 5-[(4-methylimidazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 5-[(4-methylimidazol-1-yl)methyl]coumarilic acid Formula: C14H12N2O3 MolecularWeight: 256.25668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CN(C=N1)CC2=CC3=C(C=C2)OC(=C3)C(=O)O

Isomeric SMILES

CC1=CN(C=N1)CC2=CC3=C(C=C2)OC(=C3)C(=O)O

InChI

InChI=1S/C14H12N2O3/c1-9-6-16(8-15-9)7-10-2-3-12-11(4-10)5-13(19-12)14(17)18/h2-6,8H,7H2,1H3,(H,17,18)