2-(1,3-benzodioxol-5-ylcarbonylamino)-3-phenyl-propanoic acid

Systemtic Name: 2-(1,3-benzodioxol-5-ylcarbonylamino)-3-phenyl-propanoic acid Openeye Name: 2-(1,3-benzodioxole-5-carbonylamino)-3-phenyl-propanoic acid CAS Name: 2-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 2-(1,3-benzodioxole-5-carbonylamino)-3-phenylpropanoic acid Traditional Name: 3-phenyl-2-(piperonyloylamino)propionic acid Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)NC(CC3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C17H15NO5/c19-16(12-6-7-14-15(9-12)23-10-22-14)18-13(17(20)21)8-11-4-2-1-3-5-11/h1-7,9,13H,8,10H2,(H,18,19)(H,20,21)