2-(4-methylpentoxy)pyridine-4-carboxylic acid

Systemtic Name: 2-(4-methylpentoxy)pyridine-4-carboxylic acid Openeye Name: 2-isohexyloxypyridine-4-carboxylic acid CAS Name: 2-(4-methylpentoxy)-4-pyridinecarboxylic acid IUPAC Name: 2-(4-methylpentoxy)pyridine-4-carboxylic acid Traditional Name: 2-isohexyloxyisonicotinic acid Formula: C12H17NO3 MolecularWeight: 223.26828

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCCOC1=NC=CC(=C1)C(=O)O

Isomeric SMILES

CC(C)CCCOC1=NC=CC(=C1)C(=O)O

InChI

InChI=1S/C12H17NO3/c1-9(2)4-3-7-16-11-8-10(12(14)15)5-6-13-11/h5-6,8-9H,3-4,7H2,1-2H3,(H,14,15)