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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(4-methanoyl-2-methoxy-phenoxy)ethanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-(4-formyl-2-methoxy-phenoxy)acetate CAS Name: 2-(4-formyl-2-methoxyphenoxy)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-formyl-2-methoxyphenoxy)acetate Traditional Name: 2-(4-formyl-2-methoxy-phenoxy)acetic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H21NO8 MolecularWeight: 415.39334

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO8/c1-13(21(25)22-9-14-3-5-17-19(7-14)29-12-28-17)30-20(24)11-27-16-6-4-15(10-23)8-18(16)26-2/h3-8,10,13H,9,11-12H2,1-2H3,(H,22,25)/t13-/m1/s1