[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxidanylidene-ethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxo-ethyl] 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl] 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid [2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-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)OCC(=O)NC3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC(=O)NC3=CC4=C(C=C3)OCCO4

InChI

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