[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylate CAS Name: 1-ethyl-2,5-dimethyl-3-pyrrolecarboxylic 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] 1-ethyl-2,5-dimethylpyrrole-3-carboxylate Traditional Name: 1-ethyl-2,5-dimethyl-pyrrole-3-carboxylic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C20H24N2O5 MolecularWeight: 372.41496

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)OC(C)C(=O)NCC2=CC3=C(C=C2)OCO3)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)O[C@H](C)C(=O)NCC2=CC3=C(C=C2)OCO3)C

InChI

InChI=1S/C20H24N2O5/c1-5-22-12(2)8-16(13(22)3)20(24)27-14(4)19(23)21-10-15-6-7-17-18(9-15)26-11-25-17/h6-9,14H,5,10-11H2,1-4H3,(H,21,23)/t14-/m1/s1