phenyl 3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoate

Systemtic Name: phenyl 3-(2-bromanyl-4,5-dimethoxy-phenyl)propanoate Openeye Name: phenyl 3-(2-bromo-4,5-dimethoxy-phenyl)propanoate CAS Name: 3-(2-bromo-4,5-dimethoxyphenyl)propanoic acid phenyl ester IUPAC Name: phenyl 3-(2-bromo-4,5-dimethoxyphenyl)propanoate Traditional Name: 3-(2-bromo-4,5-dimethoxy-phenyl)propionic acid phenyl ester Formula: C17H17BrO4 MolecularWeight: 365.21848

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)CCC(=O)OC2=CC=CC=C2)Br)OC

Isomeric SMILES

COC1=C(C=C(C(=C1)CCC(=O)OC2=CC=CC=C2)Br)OC

InChI

InChI=1S/C17H17BrO4/c1-20-15-10-12(14(18)11-16(15)21-2)8-9-17(19)22-13-6-4-3-5-7-13/h3-7,10-11H,8-9H2,1-2H3