(2S)-2-[4-(2-methylpropanoyl)phenyl]propanoic acid

Systemtic Name: (2S)-2-[4-(2-methylpropanoyl)phenyl]propanoic acid Openeye Name: (2S)-2-[4-(2-methylpropanoyl)phenyl]propanoic acid CAS Name: (2S)-2-[4-(2-methyl-1-oxopropyl)phenyl]propanoic acid IUPAC Name: (2S)-2-[4-(2-methylpropanoyl)phenyl]propanoic acid Traditional Name: (2S)-2-(4-isobutyrylphenyl)propionic acid Formula: C13H16O3 MolecularWeight: 220.26434

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C1=CC=C(C=C1)C(=O)C(C)C)C(=O)O

InChI

InChI=1S/C13H16O3/c1-8(2)12(14)11-6-4-10(5-7-11)9(3)13(15)16/h4-9H,1-3H3,(H,15,16)/t9-/m0/s1