(4-phenethyloxycarbonylphenyl) 5-bromanyl-2-butoxy-benzoate

Systemtic Name: (4-phenethyloxycarbonylphenyl) 5-bromanyl-2-butoxy-benzoate Openeye Name: (4-phenethyloxycarbonylphenyl) 5-bromo-2-butoxy-benzoate CAS Name: 5-bromo-2-butoxybenzoic acid [4-[oxo(phenethyloxy)methyl]phenyl] ester IUPAC Name: (4-phenethyloxycarbonylphenyl) 5-bromo-2-butoxybenzoate Traditional Name: 5-bromo-2-butoxy-benzoic acid (4-phenethyloxycarbonylphenyl) ester Formula: C26H25BrO5 MolecularWeight: 497.3777

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=C(C=C2)C(=O)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)Br)C(=O)OC2=CC=C(C=C2)C(=O)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H25BrO5/c1-2-3-16-30-24-14-11-21(27)18-23(24)26(29)32-22-12-9-20(10-13-22)25(28)31-17-15-19-7-5-4-6-8-19/h4-14,18H,2-3,15-17H2,1H3