(2R)-2-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-propanoate

Systemtic Name: (2R)-2-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-propanoate Openeye Name: (2R)-2-(1,3-benzodioxol-5-yl)-3-(3-pyridyl)propanoate CAS Name: (2R)-2-(1,3-benzodioxol-5-yl)-3-(3-pyridinyl)propanoate IUPAC Name: (2R)-2-(1,3-benzodioxol-5-yl)-3-pyridin-3-ylpropanoate Traditional Name: (2R)-2-(1,3-benzodioxol-5-yl)-3-(3-pyridyl)propionate Formula: C15H12NO4- MolecularWeight: 270.26008

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(CC3=CN=CC=C3)C(=O)[O-]

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)[C@@H](CC3=CN=CC=C3)C(=O)[O-]

InChI

InChI=1S/C15H13NO4/c17-15(18)12(6-10-2-1-5-16-8-10)11-3-4-13-14(7-11)20-9-19-13/h1-5,7-8,12H,6,9H2,(H,17,18)/p-1/t12-/m1/s1