ethyl 5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl]oxy-2-phenyl-1-benzofuran-3-carboxylate

Systemtic Name: ethyl 5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl]oxy-2-phenyl-1-benzofuran-3-carboxylate Openeye Name: ethyl 5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethoxy]-2-phenyl-benzofuran-3-carboxylate CAS Name: 5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxy-2-phenyl-3-benzofurancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl]oxy-2-phenyl-1-benzofuran-3-carboxylate Traditional Name: 5-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethoxy]-2-phenyl-benzofuran-3-carboxylic acid ethyl ester Formula: C28H25NO7 MolecularWeight: 487.5006

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(C)C(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

Isomeric SMILES

CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(C)C(=O)NC3=CC4=C(C=C3)OCCO4)C5=CC=CC=C5

InChI

InChI=1S/C28H25NO7/c1-3-32-28(31)25-21-16-20(10-12-22(21)36-26(25)18-7-5-4-6-8-18)35-17(2)27(30)29-19-9-11-23-24(15-19)34-14-13-33-23/h4-12,15-17H,3,13-14H2,1-2H3,(H,29,30)