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

Systemtic Name: (4-ethoxycarbonylphenyl) 3-bromanyl-4-butoxy-benzoate Openeye Name: (4-ethoxycarbonylphenyl) 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid (4-ethoxycarbonylphenyl) ester IUPAC Name: (4-ethoxycarbonylphenyl) 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid (4-carbethoxyphenyl) ester Formula: C20H21BrO5 MolecularWeight: 421.28174

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrO5/c1-3-5-12-25-18-11-8-15(13-17(18)21)20(23)26-16-9-6-14(7-10-16)19(22)24-4-2/h6-11,13H,3-5,12H2,1-2H3