3-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-propanoic acid

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-propanoic acid Openeye Name: 3-(1,3-benzodioxol-5-yl)-3-(3-pyridyl)propanoic acid CAS Name: 3-(1,3-benzodioxol-5-yl)-3-(3-pyridinyl)propanoic acid IUPAC Name: 3-(1,3-benzodioxol-5-yl)-3-pyridin-3-ylpropanoic acid Traditional Name: 3-(1,3-benzodioxol-5-yl)-3-(3-pyridyl)propionic acid Formula: C15H13NO4 MolecularWeight: 271.26802

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)C3=CN=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(CC(=O)O)C3=CN=CC=C3

InChI

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