2-[(2-cyano-3-methyl-butan-2-yl)carbamoyl]-5-ethyl-pyridine-3-carboxylic acid

Systemtic Name: 2-[(2-cyano-3-methyl-butan-2-yl)carbamoyl]-5-ethyl-pyridine-3-carboxylic acid Openeye Name: 2-[(1-cyano-1,2-dimethyl-propyl)carbamoyl]-5-ethyl-pyridine-3-carboxylic acid CAS Name: 2-[[(2-cyano-3-methylbutan-2-yl)amino]-oxomethyl]-5-ethyl-3-pyridinecarboxylic acid IUPAC Name: 2-[(2-cyano-3-methylbutan-2-yl)carbamoyl]-5-ethylpyridine-3-carboxylic acid Traditional Name: 2-[(1-cyano-1,2-dimethyl-propyl)carbamoyl]-5-ethyl-nicotinic acid Formula: C15H19N3O3 MolecularWeight: 289.32966

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CN=C(C(=C1)C(=O)O)C(=O)NC(C)(C#N)C(C)C

Isomeric SMILES

CCC1=CN=C(C(=C1)C(=O)O)C(=O)NC(C)(C#N)C(C)C

InChI

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