[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic 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] 5-methoxy-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 5-methoxy-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H21NO8 MolecularWeight: 415.39334

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(C(=C3)OC)OCCO4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC4=C(C(=C3)OC)OCCO4

InChI

InChI=1S/C21H21NO8/c1-12(20(23)22-10-13-3-4-15-16(7-13)29-11-28-15)30-21(24)14-8-17(25-2)19-18(9-14)26-5-6-27-19/h3-4,7-9,12H,5-6,10-11H2,1-2H3,(H,22,23)/t12-/m1/s1