[3-(oxolan-2-ylmethoxycarbonyl)phenyl] 3-bromanyl-4-ethoxy-benzoate

Systemtic Name: [3-(oxolan-2-ylmethoxycarbonyl)phenyl] 3-bromanyl-4-ethoxy-benzoate Openeye Name: [3-(tetrahydrofuran-2-ylmethoxycarbonyl)phenyl] 3-bromo-4-ethoxy-benzoate CAS Name: 3-bromo-4-ethoxybenzoic acid [3-[oxo(2-oxolanylmethoxy)methyl]phenyl] ester IUPAC Name: [3-(oxolan-2-ylmethoxycarbonyl)phenyl] 3-bromo-4-ethoxybenzoate Traditional Name: 3-bromo-4-ethoxy-benzoic acid [3-(tetrahydrofurfuryloxycarbonyl)phenyl] ester Formula: C21H21BrO6 MolecularWeight: 449.29184

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCC3CCCO3)Br

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCC3CCCO3)Br

InChI

InChI=1S/C21H21BrO6/c1-2-25-19-9-8-15(12-18(19)22)21(24)28-16-6-3-5-14(11-16)20(23)27-13-17-7-4-10-26-17/h3,5-6,8-9,11-12,17H,2,4,7,10,13H2,1H3