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

Systemtic Name: (3-ethoxycarbonylphenyl) 3-bromanyl-4-butoxy-benzoate Openeye Name: (3-ethoxycarbonylphenyl) 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid (3-ethoxycarbonylphenyl) ester IUPAC Name: (3-ethoxycarbonylphenyl) 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid (3-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=CC(=C2)C(=O)OCC)Br

Isomeric SMILES

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

InChI

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