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

Systemtic Name: 5-(butoxymethyl)-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid Openeye Name: 5-(butoxymethyl)-2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylic acid CAS Name: 5-(butoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinecarboxylic acid IUPAC Name: 5-(butoxymethyl)-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid Traditional Name: 5-(butoxymethyl)-2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)nicotinic acid Formula: C18H25N3O4 MolecularWeight: 347.4088

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOCC1=CN=C(C(=C1)C(=O)O)C2=NC(C(=O)N2)(C)C(C)C

Isomeric SMILES

CCCCOCC1=CN=C(C(=C1)C(=O)O)C2=NC(C(=O)N2)(C)C(C)C

InChI

InChI=1S/C18H25N3O4/c1-5-6-7-25-10-12-8-13(16(22)23)14(19-9-12)15-20-17(24)18(4,21-15)11(2)3/h8-9,11H,5-7,10H2,1-4H3,(H,22,23)(H,20,21,24)