[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-benzamidopropanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] (2S)-2-benzamidopropanoate CAS Name: (2S)-2-benzamidopropanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2S)-2-benzamidopropanoate Traditional Name: (2S)-2-benzamidopropionic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C20H20N2O6 MolecularWeight: 384.3826

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H20N2O6/c1-13(22-19(24)15-5-3-2-4-6-15)20(25)26-11-18(23)21-10-14-7-8-16-17(9-14)28-12-27-16/h2-9,13H,10-12H2,1H3,(H,21,23)(H,22,24)/t13-/m0/s1