[2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-(oxolan-2-ylmethoxy)benzoate

Systemtic Name: [2-(3-bromanyl-4-methoxy-phenyl)-2-oxidanylidene-ethyl] 2-(oxolan-2-ylmethoxy)benzoate Openeye Name: [2-(3-bromo-4-methoxy-phenyl)-2-oxo-ethyl] 2-(tetrahydrofuran-2-ylmethoxy)benzoate CAS Name: 2-(2-oxolanylmethoxy)benzoic acid [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromo-4-methoxyphenyl)-2-oxoethyl] 2-(oxolan-2-ylmethoxy)benzoate Traditional Name: 2-(tetrahydrofurfuryloxy)benzoic acid [2-(3-bromo-4-methoxy-phenyl)-2-keto-ethyl] ester Formula: C21H21BrO6 MolecularWeight: 449.29184

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2OCC3CCCO3)Br

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC=CC=C2OCC3CCCO3)Br

InChI

InChI=1S/C21H21BrO6/c1-25-20-9-8-14(11-17(20)22)18(23)13-28-21(24)16-6-2-3-7-19(16)27-12-15-5-4-10-26-15/h2-3,6-9,11,15H,4-5,10,12-13H2,1H3