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

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] (2S)-2-(phenylcarbamoylamino)propanoate CAS Name: (2S)-2-[[anilino(oxo)methyl]amino]propanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2S)-2-(phenylcarbamoylamino)propanoate Traditional Name: (2S)-2-(phenylcarbamoylamino)propionic acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C20H21N3O6 MolecularWeight: 399.39724

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)NC3=CC=CC=C3

Isomeric SMILES

C[C@@H](C(=O)OCC(=O)NCC1=CC2=C(C=C1)OCO2)NC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C20H21N3O6/c1-13(22-20(26)23-15-5-3-2-4-6-15)19(25)27-11-18(24)21-10-14-7-8-16-17(9-14)29-12-28-16/h2-9,13H,10-12H2,1H3,(H,21,24)(H2,22,23,26)/t13-/m0/s1