2-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid hydrochloride

Systemtic Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid hydrochloride Openeye Name: 2-(3-cyano-4-isobutoxy-phenyl)pyridine-4-carboxylic acid hydrochloride CAS Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]-4-pyridinecarboxylic acid hydrochloride IUPAC Name: 2-[3-cyano-4-(2-methylpropoxy)phenyl]pyridine-4-carboxylic acid hydrochloride Traditional Name: 2-(3-cyano-4-isobutoxy-phenyl)isonicotinic acid hydrochloride Formula: C17H17ClN2O3 MolecularWeight: 332.78148

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)COC1=C(C=C(C=C1)C2=NC=CC(=C2)C(=O)O)C#N.Cl

Isomeric SMILES

CC(C)COC1=C(C=C(C=C1)C2=NC=CC(=C2)C(=O)O)C#N.Cl

InChI

InChI=1S/C17H16N2O3.ClH/c1-11(2)10-22-16-4-3-12(7-14(16)9-18)15-8-13(17(20)21)5-6-19-15;/h3-8,11H,10H2,1-2H3,(H,20,21);1H