(6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-(4-methoxyphenyl)propanoate

Systemtic Name: (6-bromanyl-1,3-benzodioxol-5-yl)methyl 3-(4-methoxyphenyl)propanoate Openeye Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-(4-methoxyphenyl)propanoate CAS Name: 3-(4-methoxyphenyl)propanoic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester IUPAC Name: (6-bromo-1,3-benzodioxol-5-yl)methyl 3-(4-methoxyphenyl)propanoate Traditional Name: 3-(4-methoxyphenyl)propionic acid (6-bromo-1,3-benzodioxol-5-yl)methyl ester Formula: C18H17BrO5 MolecularWeight: 393.22858

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17BrO5/c1-21-14-5-2-12(3-6-14)4-7-18(20)22-10-13-8-16-17(9-15(13)19)24-11-23-16/h2-3,5-6,8-9H,4,7,10-11H2,1H3