3-[(2-propan-2-ylimidazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid

Systemtic Name: 3-[(2-propan-2-ylimidazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid Openeye Name: 3-[(2-isopropylimidazol-1-yl)methyl]benzofuran-2-carboxylic acid CAS Name: 3-[(2-propan-2-yl-1-imidazolyl)methyl]-2-benzofurancarboxylic acid IUPAC Name: 3-[(2-propan-2-ylimidazol-1-yl)methyl]-1-benzofuran-2-carboxylic acid Traditional Name: 3-[(2-isopropylimidazol-1-yl)methyl]coumarilic acid Formula: C16H16N2O3 MolecularWeight: 284.30984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC=CN1CC2=C(OC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CC(C)C1=NC=CN1CC2=C(OC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H16N2O3/c1-10(2)15-17-7-8-18(15)9-12-11-5-3-4-6-13(11)21-14(12)16(19)20/h3-8,10H,9H2,1-2H3,(H,19,20)