[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-ethanoylphenoxy)ethanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-ethanoylphenoxy)ethanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-(4-acetylphenoxy)acetate CAS Name: 2-(4-acetylphenoxy)acetic 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] 2-(4-acetylphenoxy)acetate Traditional Name: 2-(4-acetylphenoxy)acetic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)COC3=CC=C(C=C3)C(=O)C

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)COC3=CC=C(C=C3)C(=O)C

InChI

InChI=1S/C21H21NO7/c1-13(23)16-4-6-17(7-5-16)26-11-20(24)29-14(2)21(25)22-10-15-3-8-18-19(9-15)28-12-27-18/h3-9,14H,10-12H2,1-2H3,(H,22,25)/t14-/m1/s1