(3-phenethyloxycarbonylphenyl) 3-bromanyl-4-butoxy-benzoate

Systemtic Name: (3-phenethyloxycarbonylphenyl) 3-bromanyl-4-butoxy-benzoate Openeye Name: (3-phenethyloxycarbonylphenyl) 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid [3-[oxo(phenethyloxy)methyl]phenyl] ester IUPAC Name: (3-phenethyloxycarbonylphenyl) 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid (3-phenethyloxycarbonylphenyl) ester Formula: C26H25BrO5 MolecularWeight: 497.3777

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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