(6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-(3-fluoranyl-4-methoxy-phenyl)ethanoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 2-(3-fluoranyl-4-methoxy-phenyl)ethanoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-(3-fluoro-4-methoxy-phenyl)acetate CAS Name: 2-(3-fluoro-4-methoxyphenyl)acetic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 2-(3-fluoro-4-methoxyphenyl)acetate Traditional Name: 2-(3-fluoro-4-methoxy-phenyl)acetic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C17H14BrFO5 MolecularWeight: 397.192463

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)OCC2=CC3=C(C=C2Br)OCO3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)OCC2=CC3=C(C=C2Br)OCO3)F

InChI

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