(5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate

Systemtic Name: (5-chloranyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Openeye Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(ethoxymethyl)benzofuran-2-carboxylate CAS Name: 3-(ethoxymethyl)-2-benzofurancarboxylic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-(ethoxymethyl)-1-benzofuran-2-carboxylate Traditional Name: 3-(ethoxymethyl)coumarilic acid (5-chloro-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C21H19ClO6 MolecularWeight: 402.82496

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Descriptors Computed from Structure

Canonical SMILES:

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

Isomeric SMILES

CCOCC1=C(OC2=CC=CC=C21)C(=O)OCC3=CC4=C(C(=C3)Cl)OCCO4

InChI

InChI=1S/C21H19ClO6/c1-2-24-12-15-14-5-3-4-6-17(14)28-19(15)21(23)27-11-13-9-16(22)20-18(10-13)25-7-8-26-20/h3-6,9-10H,2,7-8,11-12H2,1H3