5-(bromomethyl)-2-[4-methyl-5-oxidanylidene-1-(phenylcarbonyl)-4-propan-2-yl-imidazol-2-yl]pyridine-3-carboxylic acid

Systemtic Name: 5-(bromomethyl)-2-[4-methyl-5-oxidanylidene-1-(phenylcarbonyl)-4-propan-2-yl-imidazol-2-yl]pyridine-3-carboxylic acid Openeye Name: 2-(1-benzoyl-4-isopropyl-4-methyl-5-oxo-imidazol-2-yl)-5-(bromomethyl)pyridine-3-carboxylic acid CAS Name: 2-(1-benzoyl-4-methyl-5-oxo-4-propan-2-yl-2-imidazolyl)-5-(bromomethyl)-3-pyridinecarboxylic acid IUPAC Name: 2-(1-benzoyl-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-(bromomethyl)pyridine-3-carboxylic acid Traditional Name: 2-(1-benzoyl-4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-5-(bromomethyl)nicotinic acid Formula: C21H20BrN3O4 MolecularWeight: 458.3052

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)N(C(=N1)C2=NC=C(C=C2C(=O)O)CBr)C(=O)C3=CC=CC=C3)C

Isomeric SMILES

CC(C)C1(C(=O)N(C(=N1)C2=NC=C(C=C2C(=O)O)CBr)C(=O)C3=CC=CC=C3)C

InChI

InChI=1S/C21H20BrN3O4/c1-12(2)21(3)20(29)25(18(26)14-7-5-4-6-8-14)17(24-21)16-15(19(27)28)9-13(10-22)11-23-16/h4-9,11-12H,10H2,1-3H3,(H,27,28)