(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)ethanoate

Systemtic Name: (6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)ethanoate Openeye Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(6-methoxybenzofuran-3-yl)acetate CAS Name: 2-(6-methoxy-3-benzofuranyl)acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester IUPAC Name: (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl 2-(6-methoxy-1-benzofuran-3-yl)acetate Traditional Name: 2-(6-methoxybenzofuran-3-yl)acetic acid (6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)methyl ester Formula: C21H19ClO6 MolecularWeight: 402.82496

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4

Isomeric SMILES

COC1=CC2=C(C=C1)C(=CO2)CC(=O)OCC3=CC4=C(C(=C3)Cl)OCCCO4

InChI

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