4-[2-(2-phenethylpyridin-3-yl)ethyl]benzoic acid

Systemtic Name: 4-[2-(2-phenethylpyridin-3-yl)ethyl]benzoic acid Openeye Name: 4-[2-(2-phenethyl-3-pyridyl)ethyl]benzoic acid CAS Name: 4-[2-(2-phenethyl-3-pyridinyl)ethyl]benzoic acid IUPAC Name: 4-[2-(2-phenethylpyridin-3-yl)ethyl]benzoic acid Traditional Name: 4-[2-(2-phenethyl-3-pyridyl)ethyl]benzoic acid Formula: C22H21NO2 MolecularWeight: 331.40764

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCC2=C(C=CC=N2)CCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C=CC=N2)CCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C22H21NO2/c24-22(25)20-13-9-18(10-14-20)8-12-19-7-4-16-23-21(19)15-11-17-5-2-1-3-6-17/h1-7,9-10,13-14,16H,8,11-12,15H2,(H,24,25)