[4-(oxolan-2-ylmethoxycarbonyl)phenyl] 5-bromanyl-2-ethoxy-benzoate

Systemtic Name: [4-(oxolan-2-ylmethoxycarbonyl)phenyl] 5-bromanyl-2-ethoxy-benzoate Openeye Name: [4-(tetrahydrofuran-2-ylmethoxycarbonyl)phenyl] 5-bromo-2-ethoxy-benzoate CAS Name: 5-bromo-2-ethoxybenzoic acid [4-[oxo(2-oxolanylmethoxy)methyl]phenyl] ester IUPAC Name: [4-(oxolan-2-ylmethoxycarbonyl)phenyl] 5-bromo-2-ethoxybenzoate Traditional Name: 5-bromo-2-ethoxy-benzoic acid [4-(tetrahydrofurfuryloxycarbonyl)phenyl] ester Formula: C21H21BrO6 MolecularWeight: 449.29184

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrO6/c1-2-25-19-10-7-15(22)12-18(19)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