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

Systemtic Name: 3-(1,3-benzodioxol-5-ylcarbonylamino)-3-phenyl-propanoic acid Openeye Name: 3-(1,3-benzodioxole-5-carbonylamino)-3-phenyl-propanoic acid CAS Name: 3-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]-3-phenylpropanoic acid IUPAC Name: 3-(1,3-benzodioxole-5-carbonylamino)-3-phenylpropanoic acid Traditional Name: 3-phenyl-3-(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(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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