2-[5-(pyridin-3-ylmethyl)-1,3-benzodioxol-2-yl]ethanoic acid

Systemtic Name: 2-[5-(pyridin-3-ylmethyl)-1,3-benzodioxol-2-yl]ethanoic acid Openeye Name: 2-[5-(3-pyridylmethyl)-1,3-benzodioxol-2-yl]acetic acid CAS Name: 2-[5-(3-pyridinylmethyl)-1,3-benzodioxol-2-yl]acetic acid IUPAC Name: 2-[5-(pyridin-3-ylmethyl)-1,3-benzodioxol-2-yl]acetic acid Traditional Name: 2-[5-(3-pyridylmethyl)-1,3-benzodioxol-2-yl]acetic acid Formula: C15H13NO4 MolecularWeight: 271.26802

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)CC2=CC3=C(C=C2)OC(O3)CC(=O)O

Isomeric SMILES

C1=CC(=CN=C1)CC2=CC3=C(C=C2)OC(O3)CC(=O)O

InChI

InChI=1S/C15H13NO4/c17-14(18)8-15-19-12-4-3-10(7-13(12)20-15)6-11-2-1-5-16-9-11/h1-5,7,9,15H,6,8H2,(H,17,18)