5-[4-(pyridin-3-ylmethyl)phenyl]pent-2-ynoic acid

Systemtic Name: 5-[4-(pyridin-3-ylmethyl)phenyl]pent-2-ynoic acid Openeye Name: 5-[4-(3-pyridylmethyl)phenyl]pent-2-ynoic acid CAS Name: 5-[4-(3-pyridinylmethyl)phenyl]-2-pentynoic acid IUPAC Name: 5-[4-(pyridin-3-ylmethyl)phenyl]pent-2-ynoic acid Traditional Name: 5-[4-(3-pyridylmethyl)phenyl]pent-2-ynoic acid Formula: C17H15NO2 MolecularWeight: 265.3065

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CC=C(C=C2)CCC#CC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CC2=CC=C(C=C2)CCC#CC(=O)O

InChI

InChI=1S/C17H15NO2/c19-17(20)6-2-1-4-14-7-9-15(10-8-14)12-16-5-3-11-18-13-16/h3,5,7-11,13H,1,4,12H2,(H,19,20)