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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)OC(C)C(=O)NC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)O[C@H](C)C(=O)NC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H21NO7/c1-3-26-11-16-15-6-4-5-7-17(15)30-20(16)22(25)29-13(2)21(24)23-14-8-9-18-19(10-14)28-12-27-18/h4-10,13H,3,11-12H2,1-2H3,(H,23,24)/t13-/m1/s1