[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-benzamidoethanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-benzamidoethanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-benzamidoacetate CAS Name: 2-benzamidoacetic acid [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopropan-2-yl] 2-benzamidoacetate Traditional Name: 2-benzamidoacetic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O6/c1-13(28-18(23)11-22-20(25)15-5-3-2-4-6-15)19(24)21-10-14-7-8-16-17(9-14)27-12-26-16/h2-9,13H,10-12H2,1H3,(H,21,24)(H,22,25)/t13-/m1/s1