2-[4-(2-methylpropyl)phenyl]propanoic acid; pyridine-3-carboxylic acid

Systemtic Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid; pyridine-3-carboxylic acid Openeye Name: 2-(4-isobutylphenyl)propanoic acid; nicotinic acid CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid; 3-pyridinecarboxylic acid IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid; pyridine-3-carboxylic acid Traditional Name: 2-(4-isobutylphenyl)propionic acid; nicotinic acid Formula: C19H23NO4 MolecularWeight: 329.39022

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C1=CC(=CN=C1)C(=O)O

Isomeric SMILES

CC(C)CC1=CC=C(C=C1)C(C)C(=O)O.C1=CC(=CN=C1)C(=O)O

InChI

InChI=1S/C13H18O2.C6H5NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;8-6(9)5-2-1-3-7-4-5/h4-7,9-10H,8H2,1-3H3,(H,14,15);1-4H,(H,8,9)