2-(4-cyano-2,6-diethyl-phenyl)ethanoic acid

Systemtic Name: 2-(4-cyano-2,6-diethyl-phenyl)ethanoic acid Openeye Name: 2-(4-cyano-2,6-diethyl-phenyl)acetic acid CAS Name: 2-(4-cyano-2,6-diethylphenyl)acetic acid IUPAC Name: 2-(4-cyano-2,6-diethylphenyl)acetic acid Traditional Name: 2-(4-cyano-2,6-diethyl-phenyl)acetic acid Formula: C13H15NO2 MolecularWeight: 217.2637

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1CC(=O)O)CC)C#N

Isomeric SMILES

CCC1=CC(=CC(=C1CC(=O)O)CC)C#N

InChI

InChI=1S/C13H15NO2/c1-3-10-5-9(8-14)6-11(4-2)12(10)7-13(15)16/h5-6H,3-4,7H2,1-2H3,(H,15,16)