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

Systemtic Name: [4-(oxolan-2-ylmethoxycarbonyl)phenyl] 3-bromanyl-4-ethoxy-benzoate Openeye Name: [4-(tetrahydrofuran-2-ylmethoxycarbonyl)phenyl] 3-bromo-4-ethoxy-benzoate CAS Name: 3-bromo-4-ethoxybenzoic acid [4-[oxo(2-oxolanylmethoxy)methyl]phenyl] ester IUPAC Name: [4-(oxolan-2-ylmethoxycarbonyl)phenyl] 3-bromo-4-ethoxybenzoate Traditional Name: 3-bromo-4-ethoxy-benzoic acid [4-(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=C(C=C2)C(=O)OCC3CCCO3)Br

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrO6/c1-2-25-19-10-7-15(12-18(19)22)21(24)28-16-8-5-14(6-9-16)20(23)27-13-17-4-3-11-26-17/h5-10,12,17H,2-4,11,13H2,1H3