(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-fluoranyl-4-methoxy-benzoate

Systemtic Name: (6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-fluoranyl-4-methoxy-benzoate Openeye Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-fluoro-4-methoxy-benzoate CAS Name: 3-fluoro-4-methoxybenzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester IUPAC Name: (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl 3-fluoro-4-methoxybenzoate Traditional Name: 3-fluoro-4-methoxy-benzoic acid (6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methyl ester Formula: C17H14BrFO5 MolecularWeight: 397.192463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3)F

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC2=CC3=C(C=C2Br)OCCO3)F

InChI

InChI=1S/C17H14BrFO5/c1-21-14-3-2-10(6-13(14)19)17(20)24-9-11-7-15-16(8-12(11)18)23-5-4-22-15/h2-3,6-8H,4-5,9H2,1H3