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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] (2R)-2-phenoxybutanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] (2R)-2-phenoxybutanoate CAS Name: (2R)-2-phenoxybutanoic 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] (2R)-2-phenoxybutanoate Traditional Name: (2R)-2-phenoxybutyric acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H23NO6 MolecularWeight: 385.41042

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6/c1-3-17(28-16-7-5-4-6-8-16)21(24)27-14(2)20(23)22-12-15-9-10-18-19(11-15)26-13-25-18/h4-11,14,17H,3,12-13H2,1-2H3,(H,22,23)/t14-,17-/m1/s1