4-[1-cyano-3-(dimethylamino)propyl]benzoic acid

Systemtic Name: 4-[1-cyano-3-(dimethylamino)propyl]benzoic acid Openeye Name: 4-[1-cyano-3-(dimethylamino)propyl]benzoic acid CAS Name: 4-[1-cyano-3-(dimethylamino)propyl]benzoic acid IUPAC Name: 4-[1-cyano-3-(dimethylamino)propyl]benzoic acid Traditional Name: 4-[1-cyano-3-(dimethylamino)propyl]benzoic acid Formula: C13H16N2O2 MolecularWeight: 232.27834

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCC(C#N)C1=CC=C(C=C1)C(=O)O

Isomeric SMILES

CN(C)CCC(C#N)C1=CC=C(C=C1)C(=O)O

InChI

InChI=1S/C13H16N2O2/c1-15(2)8-7-12(9-14)10-3-5-11(6-4-10)13(16)17/h3-6,12H,7-8H2,1-2H3,(H,16,17)