2-[3-(2-methylpropanoyl)phenyl]propanoic acid

Systemtic Name: 2-[3-(2-methylpropanoyl)phenyl]propanoic acid Openeye Name: 2-[3-(2-methylpropanoyl)phenyl]propanoic acid CAS Name: 2-[3-(2-methyl-1-oxopropyl)phenyl]propanoic acid IUPAC Name: 2-[3-(2-methylpropanoyl)phenyl]propanoic acid Traditional Name: 2-(3-isobutyrylphenyl)propionic acid Formula: C13H16O3 MolecularWeight: 220.26434

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)C1=CC(=CC=C1)C(C)C(=O)O

Isomeric SMILES

CC(C)C(=O)C1=CC(=CC=C1)C(C)C(=O)O

InChI

InChI=1S/C13H16O3/c1-8(2)12(14)11-6-4-5-10(7-11)9(3)13(15)16/h4-9H,1-3H3,(H,15,16)