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

Systemtic Name: [1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-methyl-1-benzofuran-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3-methylbenzofuran-2-carboxylate CAS Name: 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] 3-methyl-1-benzofuran-2-carboxylate Traditional Name: 3-methylcoumarilic acid [2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H19NO6 MolecularWeight: 381.37866

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=CC=CC=C12)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC1=C(OC2=CC=CC=C12)C(=O)OC(C)C(=O)NCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C21H19NO6/c1-12-15-5-3-4-6-16(15)28-19(12)21(24)27-13(2)20(23)22-10-14-7-8-17-18(9-14)26-11-25-17/h3-9,13H,10-11H2,1-2H3,(H,22,23)