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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 4-methanoylbenzoate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 4-formylbenzoate CAS Name: 4-formylbenzoic 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] 4-formylbenzoate Traditional Name: 4-formylbenzoic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C19H17NO6 MolecularWeight: 355.34138

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17NO6/c1-12(26-19(23)15-5-2-13(10-21)3-6-15)18(22)20-9-14-4-7-16-17(8-14)25-11-24-16/h2-8,10,12H,9,11H2,1H3,(H,20,22)/t12-/m1/s1