(4-butoxycarbonylphenyl) 5-bromanyl-2-propoxy-benzoate

Systemtic Name: (4-butoxycarbonylphenyl) 5-bromanyl-2-propoxy-benzoate Openeye Name: (4-butoxycarbonylphenyl) 5-bromo-2-propoxy-benzoate CAS Name: 5-bromo-2-propoxybenzoic acid [4-[butoxy(oxo)methyl]phenyl] ester IUPAC Name: (4-butoxycarbonylphenyl) 5-bromo-2-propoxybenzoate Traditional Name: 5-bromo-2-propoxy-benzoic acid (4-butoxycarbonylphenyl) ester Formula: C21H23BrO5 MolecularWeight: 435.30832

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)Br)OCCC

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)Br)OCCC

InChI

InChI=1S/C21H23BrO5/c1-3-5-13-26-20(23)15-6-9-17(10-7-15)27-21(24)18-14-16(22)8-11-19(18)25-12-4-2/h6-11,14H,3-5,12-13H2,1-2H3