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

Systemtic Name: 2-(1-cyano-4-methyl-5-oxidanylidene-4-propan-2-yl-imidazol-2-yl)-5-(methoxymethyl)pyridine-3-carboxylic acid Openeye Name: 2-(1-cyano-4-isopropyl-4-methyl-5-oxo-imidazol-2-yl)-5-(methoxymethyl)pyridine-3-carboxylic acid CAS Name: 2-(1-cyano-4-methyl-5-oxo-4-propan-2-yl-2-imidazolyl)-5-(methoxymethyl)-3-pyridinecarboxylic acid IUPAC Name: 2-(1-cyano-4-methyl-5-oxo-4-propan-2-ylimidazol-2-yl)-5-(methoxymethyl)pyridine-3-carboxylic acid Traditional Name: 2-(1-cyano-4-isopropyl-5-keto-4-methyl-2-imidazolin-2-yl)-5-(methoxymethyl)nicotinic acid Formula: C16H18N4O4 MolecularWeight: 330.33852

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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)COC)C#N)C

Isomeric SMILES

CC(C)C1(C(=O)N(C(=N1)C2=NC=C(C=C2C(=O)O)COC)C#N)C

InChI

InChI=1S/C16H18N4O4/c1-9(2)16(3)15(23)20(8-17)13(19-16)12-11(14(21)22)5-10(6-18-12)7-24-4/h5-6,9H,7H2,1-4H3,(H,21,22)