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

Systemtic Name: 3-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]propanoic acid Openeye Name: 3-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]propanoic acid CAS Name: 3-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]propanoic acid IUPAC Name: 3-[4-(1,3-benzodioxol-5-ylmethylamino)phenyl]propanoic acid Traditional Name: 3-[4-(piperonylamino)phenyl]propionic acid Formula: C17H17NO4 MolecularWeight: 299.32118

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C17H17NO4/c19-17(20)8-4-12-1-5-14(6-2-12)18-10-13-3-7-15-16(9-13)22-11-21-15/h1-3,5-7,9,18H,4,8,10-11H2,(H,19,20)