[1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 5-[(4-fluoranylphenoxy)methyl]furan-2-carboxylate

Systemtic Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxidanylidene-propan-2-yl] 5-[(4-fluoranylphenoxy)methyl]furan-2-carboxylate Openeye Name: [2-(1,3-benzodioxol-5-ylamino)-1-methyl-2-oxo-ethyl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate CAS Name: 5-[(4-fluorophenoxy)methyl]-2-furancarboxylic acid [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(1,3-benzodioxol-5-ylamino)-1-oxopropan-2-yl] 5-[(4-fluorophenoxy)methyl]furan-2-carboxylate Traditional Name: 5-[(4-fluorophenoxy)methyl]furan-2-carboxylic acid [2-(1,3-benzodioxol-5-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C22H18FNO7 MolecularWeight: 427.379223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(O3)COC4=CC=C(C=C4)F

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCO2)OC(=O)C3=CC=C(O3)COC4=CC=C(C=C4)F

InChI

InChI=1S/C22H18FNO7/c1-13(21(25)24-15-4-8-18-20(10-15)29-12-28-18)30-22(26)19-9-7-17(31-19)11-27-16-5-2-14(23)3-6-16/h2-10,13H,11-12H2,1H3,(H,24,25)