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

Systemtic Name: 5-ethyl-2-(4-methyl-5-oxidanylidene-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid; propan-2-amine Openeye Name: 5-ethyl-2-(4-isopropyl-4-methyl-5-oxo-1H-imidazol-2-yl)pyridine-3-carboxylic acid; propan-2-amine CAS Name: 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)-3-pyridinecarboxylic acid; 2-propanamine IUPAC Name: 5-ethyl-2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)pyridine-3-carboxylic acid; propan-2-amine Traditional Name: 5-ethyl-2-(4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)nicotinic acid; isopropylamine Formula: C18H28N4O3 MolecularWeight: 348.43992

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C(=C1)C(=O)O)C2=NC(C(=O)N2)(C)C(C)C.CC(C)N

Isomeric SMILES

CCC1=CN=C(C(=C1)C(=O)O)C2=NC(C(=O)N2)(C)C(C)C.CC(C)N

InChI

InChI=1S/C15H19N3O3.C3H9N/c1-5-9-6-10(13(19)20)11(16-7-9)12-17-14(21)15(4,18-12)8(2)3;1-3(2)4/h6-8H,5H2,1-4H3,(H,19,20)(H,17,18,21);3H,4H2,1-2H3