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

Systemtic Name: 3-[3-[(1,3-benzodioxol-5-ylmethylamino)methyl]phenyl]propanoic acid Openeye Name: 3-[3-[(1,3-benzodioxol-5-ylmethylamino)methyl]phenyl]propanoic acid CAS Name: 3-[3-[(1,3-benzodioxol-5-ylmethylamino)methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[(1,3-benzodioxol-5-ylmethylamino)methyl]phenyl]propanoic acid Traditional Name: 3-[3-[(piperonylamino)methyl]phenyl]propionic acid Formula: C18H19NO4 MolecularWeight: 313.34776

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNCC3=CC=CC(=C3)CCC(=O)O

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNCC3=CC=CC(=C3)CCC(=O)O

InChI

InChI=1S/C18H19NO4/c20-18(21)7-5-13-2-1-3-14(8-13)10-19-11-15-4-6-16-17(9-15)23-12-22-16/h1-4,6,8-9,19H,5,7,10-12H2,(H,20,21)