2-[4-(2-cyanopropyl)phenyl]propanoic acid

Systemtic Name: 2-[4-(2-cyanopropyl)phenyl]propanoic acid Openeye Name: 2-[4-(2-cyanopropyl)phenyl]propanoic acid CAS Name: 2-[4-(2-cyanopropyl)phenyl]propanoic acid IUPAC Name: 2-[4-(2-cyanopropyl)phenyl]propanoic acid Traditional Name: 2-[4-(2-cyanopropyl)phenyl]propionic acid Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CC(CC1=CC=C(C=C1)C(C)C(=O)O)C#N

Isomeric SMILES

CC(CC1=CC=C(C=C1)C(C)C(=O)O)C#N

InChI

InChI=1S/C13H15NO2/c1-9(8-14)7-11-3-5-12(6-4-11)10(2)13(15)16/h3-6,9-10H,7H2,1-2H3,(H,15,16)