5-(3-methyl-3-oxidanyl-but-1-ynyl)-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid

Systemtic Name: 5-(3-methyl-3-oxidanyl-but-1-ynyl)-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid Openeye Name: 5-(3-hydroxy-3-methyl-but-1-ynyl)-2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylic acid CAS Name: 5-(3-hydroxy-3-methylbut-1-ynyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinecarboxylic acid IUPAC Name: 5-(3-hydroxy-3-methylbut-1-ynyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid Traditional Name: 5-(3-hydroxy-3-methyl-but-1-ynyl)-2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)nicotinic acid Formula: C18H21N3O4 MolecularWeight: 343.37704

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)C#CC(C)(C)O)C(=O)O)C

Isomeric SMILES

CC(C)C1(C(=O)NC(=N1)C2=C(C=C(C=N2)C#CC(C)(C)O)C(=O)O)C

InChI

InChI=1S/C18H21N3O4/c1-10(2)18(5)16(24)20-14(21-18)13-12(15(22)23)8-11(9-19-13)6-7-17(3,4)25/h8-10,25H,1-5H3,(H,22,23)(H,20,21,24)