[(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(6-oxidanyl-1-benzofuran-3-yl)ethanoate

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 2-(6-oxidanyl-1-benzofuran-3-yl)ethanoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 2-(6-hydroxybenzofuran-3-yl)acetate CAS Name: 2-(6-hydroxy-3-benzofuranyl)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-(6-hydroxy-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-hydroxybenzofuran-3-yl)acetic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C21H19NO7 MolecularWeight: 397.37806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CC3=COC4=C3C=CC(=C4)O

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)CC3=COC4=C3C=CC(=C4)O

InChI

InChI=1S/C21H19NO7/c1-12(21(25)22-9-13-2-5-17-19(6-13)28-11-27-17)29-20(24)7-14-10-26-18-8-15(23)3-4-16(14)18/h2-6,8,10,12,23H,7,9,11H2,1H3,(H,22,25)/t12-/m1/s1