[3-(2-methoxyethoxycarbonyl)phenyl] 3-bromanyl-4-butoxy-benzoate

Systemtic Name: [3-(2-methoxyethoxycarbonyl)phenyl] 3-bromanyl-4-butoxy-benzoate Openeye Name: [3-(2-methoxyethoxycarbonyl)phenyl] 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid [3-[2-methoxyethoxy(oxo)methyl]phenyl] ester IUPAC Name: [3-(2-methoxyethoxycarbonyl)phenyl] 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid [3-(2-methoxyethoxycarbonyl)phenyl] ester Formula: C21H23BrO6 MolecularWeight: 451.30772

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCCOC)Br

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCCOC)Br

InChI

InChI=1S/C21H23BrO6/c1-3-4-10-26-19-9-8-16(14-18(19)22)21(24)28-17-7-5-6-15(13-17)20(23)27-12-11-25-2/h5-9,13-14H,3-4,10-12H2,1-2H3