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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (2S)-2-phenoxypropanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] (2S)-2-phenoxypropanoate CAS Name: (2S)-2-phenoxypropanoic 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] (2S)-2-phenoxypropanoate Traditional Name: (2S)-2-phenoxypropionic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C20H21NO6 MolecularWeight: 371.38384

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C(C)OC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)[C@H](C)OC3=CC=CC=C3

InChI

InChI=1S/C20H21NO6/c1-13(27-20(23)14(2)26-16-6-4-3-5-7-16)19(22)21-11-15-8-9-17-18(10-15)25-12-24-17/h3-10,13-14H,11-12H2,1-2H3,(H,21,22)/t13-,14+/m1/s1