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

Systemtic Name: [(2R)-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxidanylidene-propan-2-yl] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [(1R)-2-(1,3-benzodioxol-5-ylmethylamino)-1-methyl-2-oxo-ethyl] 3-(methoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(methoxymethyl)-2-benzofurancarboxylic 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] 3-(methoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(methoxymethyl)coumarilic acid [(1R)-2-keto-1-methyl-2-(piperonylamino)ethyl] ester Formula: C22H21NO7 MolecularWeight: 411.40464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=C(C4=CC=CC=C4O3)COC

Isomeric SMILES

C[C@H](C(=O)NCC1=CC2=C(C=C1)OCO2)OC(=O)C3=C(C4=CC=CC=C4O3)COC

InChI

InChI=1S/C22H21NO7/c1-13(21(24)23-10-14-7-8-18-19(9-14)28-12-27-18)29-22(25)20-16(11-26-2)15-5-3-4-6-17(15)30-20/h3-9,13H,10-12H2,1-2H3,(H,23,24)/t13-/m1/s1