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

Systemtic Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid; methyl pyridine-3-carboxylate Openeye Name: 2-(4-isobutylphenyl)propanoic acid; methyl pyridine-3-carboxylate CAS Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid; 3-pyridinecarboxylic acid methyl ester IUPAC Name: 2-[4-(2-methylpropyl)phenyl]propanoic acid; methyl pyridine-3-carboxylate Traditional Name: 2-(4-isobutylphenyl)propionic acid; nicotinic acid methyl ester Formula: C20H25NO4 MolecularWeight: 343.4168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18O2.C7H7NO2/c1-9(2)8-11-4-6-12(7-5-11)10(3)13(14)15;1-10-7(9)6-3-2-4-8-5-6/h4-7,9-10H,8H2,1-3H3,(H,14,15);2-5H,1H3