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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-acetamidopropanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3-acetamidopropanoate CAS Name: 3-acetamidopropanoic 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] 3-acetamidopropanoate Traditional Name: 3-acetamidopropionic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C16H20N2O6 MolecularWeight: 336.3398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CCNC(=O)C

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CCNC(=O)C

InChI

InChI=1S/C16H20N2O6/c1-10(24-15(20)5-6-17-11(2)19)16(21)18-8-12-3-4-13-14(7-12)23-9-22-13/h3-4,7,10H,5-6,8-9H2,1-2H3,(H,17,19)(H,18,21)/t10-/m1/s1