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

Systemtic Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)ethanoate Openeye Name: [(1S)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-(6,7-dimethylbenzofuran-3-yl)acetate CAS Name: 2-(6,7-dimethyl-3-benzofuranyl)acetic acid [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-(6,7-dimethyl-1-benzofuran-3-yl)acetate Traditional Name: 2-(6,7-dimethylbenzofuran-3-yl)acetic acid [(1S)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C23H23NO6 MolecularWeight: 409.43182

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=CO2)CC(=O)O[C@@H](C)C(=O)NCC3=CC4=C(C=C3)OCO4)C

InChI

InChI=1S/C23H23NO6/c1-13-4-6-18-17(11-27-22(18)14(13)2)9-21(25)30-15(3)23(26)24-10-16-5-7-19-20(8-16)29-12-28-19/h4-8,11,15H,9-10,12H2,1-3H3,(H,24,26)/t15-/m0/s1