[1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 5-ethoxy-3-methyl-benzofuran-2-carboxylate CAS Name: 5-ethoxy-3-methyl-2-benzofurancarboxylic acid [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 5-ethoxy-3-methyl-1-benzofuran-2-carboxylate Traditional Name: 5-ethoxy-3-methyl-coumarilic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C23H23NO7 MolecularWeight: 425.43122

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOC1=CC2=C(C=C1)OC(=C2C)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C23H23NO7/c1-4-27-16-6-8-18-17(10-16)13(2)21(31-18)23(26)30-14(3)22(25)24-11-15-5-7-19-20(9-15)29-12-28-19/h5-10,14H,4,11-12H2,1-3H3,(H,24,25)