4-[3-[2-(pyridin-3-ylmethoxy)phenyl]propyl]benzoic acid

Systemtic Name: 4-[3-[2-(pyridin-3-ylmethoxy)phenyl]propyl]benzoic acid Openeye Name: 4-[3-[2-(3-pyridylmethoxy)phenyl]propyl]benzoic acid CAS Name: 4-[3-[2-(3-pyridinylmethoxy)phenyl]propyl]benzoic acid IUPAC Name: 4-[3-[2-(pyridin-3-ylmethoxy)phenyl]propyl]benzoic acid Traditional Name: 4-[3-[2-(3-pyridylmethoxy)phenyl]propyl]benzoic acid Formula: C22H21NO3 MolecularWeight: 347.40704

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCCC2=CC=C(C=C2)C(=O)O)OCC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C(=C1)CCCC2=CC=C(C=C2)C(=O)O)OCC3=CN=CC=C3

InChI

InChI=1S/C22H21NO3/c24-22(25)20-12-10-17(11-13-20)5-3-8-19-7-1-2-9-21(19)26-16-18-6-4-14-23-15-18/h1-2,4,6-7,9-15H,3,5,8,16H2,(H,24,25)