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

Systemtic Name: 4-[2-(4-phenethylpyridin-3-yl)ethyl]benzoic acid Openeye Name: 4-[2-(4-phenethyl-3-pyridyl)ethyl]benzoic acid CAS Name: 4-[2-(4-phenethyl-3-pyridinyl)ethyl]benzoic acid IUPAC Name: 4-[2-(4-phenethylpyridin-3-yl)ethyl]benzoic acid Traditional Name: 4-[2-(4-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=NC=C2)CCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)CCC2=C(C=NC=C2)CCC3=CC=C(C=C3)C(=O)O

InChI

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