[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] 2-(6,7-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)acetic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)acetic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C22H21NO6 MolecularWeight: 395.40524

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)OCC(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C22H21NO6/c1-13-3-5-17-16(10-27-22(17)14(13)2)8-21(25)26-11-20(24)23-9-15-4-6-18-19(7-15)29-12-28-18/h3-7,10H,8-9,11-12H2,1-2H3,(H,23,24)