[2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate

Systemtic Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxidanylidene-ethyl] (2R)-2-phenoxybutanoate Openeye Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic acid [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] ester IUPAC Name: [2-(1,3-benzodioxol-5-ylmethylamino)-2-oxoethyl] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [2-keto-2-(piperonylamino)ethyl] ester Formula: C20H21NO6 MolecularWeight: 371.38384

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO6/c1-2-16(27-15-6-4-3-5-7-15)20(23)24-12-19(22)21-11-14-8-9-17-18(10-14)26-13-25-17/h3-10,16H,2,11-13H2,1H3,(H,21,22)/t16-/m1/s1