dimethyl 5-[5-[(1,3-benzodioxol-5-ylmethylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate

Systemtic Name: dimethyl 5-[5-[(1,3-benzodioxol-5-ylmethylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate Openeye Name: dimethyl 5-[5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-furyl]benzene-1,3-dicarboxylate CAS Name: 5-[5-[(1,3-benzodioxol-5-ylmethylamino)methyl]-2-furanyl]benzene-1,3-dicarboxylic acid dimethyl ester IUPAC Name: dimethyl 5-[5-[(1,3-benzodioxol-5-ylmethylamino)methyl]furan-2-yl]benzene-1,3-dicarboxylate Traditional Name: 5-[5-[(piperonylamino)methyl]-2-furyl]benzene-1,3-dicarboxylic acid dimethyl ester Formula: C23H21NO7 MolecularWeight: 423.41534

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)CNCC3=CC4=C(C=C3)OCO4)C(=O)OC

Isomeric SMILES

COC(=O)C1=CC(=CC(=C1)C2=CC=C(O2)CNCC3=CC4=C(C=C3)OCO4)C(=O)OC

InChI

InChI=1S/C23H21NO7/c1-27-22(25)16-8-15(9-17(10-16)23(26)28-2)19-6-4-18(31-19)12-24-11-14-3-5-20-21(7-14)30-13-29-20/h3-10,24H,11-13H2,1-2H3