2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-phenyl-amino]ethanoic acid

Systemtic Name: 2-[[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl]-phenyl-amino]ethanoic acid Openeye Name: 2-(N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl]anilino)acetic acid CAS Name: 2-(N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]anilino)acetic acid IUPAC Name: 2-(N-[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl]anilino)acetic acid Traditional Name: 2-(N-[2-keto-2-(piperonylamino)ethyl]anilino)acetic acid Formula: C18H18N2O5 MolecularWeight: 342.34592

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN(CC(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)CN(CC(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C18H18N2O5/c21-17(10-20(11-18(22)23)14-4-2-1-3-5-14)19-9-13-6-7-15-16(8-13)25-12-24-15/h1-8H,9-12H2,(H,19,21)(H,22,23)