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

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

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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)OCCC3=CC=CC=C3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)OC(=O)C2=C(C=CC(=C2)Br)OCCC3=CC=CC=C3

InChI

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