2-[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]propanoic acid

Systemtic Name: 2-[4-(1,3-benzodioxol-5-ylcarbonylamino)phenyl]propanoic acid Openeye Name: 2-[4-(1,3-benzodioxole-5-carbonylamino)phenyl]propanoic acid CAS Name: 2-[4-[[1,3-benzodioxol-5-yl(oxo)methyl]amino]phenyl]propanoic acid IUPAC Name: 2-[4-(1,3-benzodioxole-5-carbonylamino)phenyl]propanoic acid Traditional Name: 2-[4-(piperonyloylamino)phenyl]propionic acid Formula: C17H15NO5 MolecularWeight: 313.3047

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O

Isomeric SMILES

CC(C1=CC=C(C=C1)NC(=O)C2=CC3=C(C=C2)OCO3)C(=O)O

InChI

InChI=1S/C17H15NO5/c1-10(17(20)21)11-2-5-13(6-3-11)18-16(19)12-4-7-14-15(8-12)23-9-22-14/h2-8,10H,9H2,1H3,(H,18,19)(H,20,21)