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

Systemtic Name: (3-ethoxycarbonylphenyl) 3-bromanyl-4-(3-methylbutoxy)benzoate Openeye Name: (3-ethoxycarbonylphenyl) 3-bromo-4-isopentyloxy-benzoate CAS Name: 3-bromo-4-(3-methylbutoxy)benzoic acid (3-ethoxycarbonylphenyl) ester IUPAC Name: (3-ethoxycarbonylphenyl) 3-bromo-4-(3-methylbutoxy)benzoate Traditional Name: 3-bromo-4-isoamoxy-benzoic acid (3-carbethoxyphenyl) ester Formula: C21H23BrO5 MolecularWeight: 435.30832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)OC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)OC(=O)C2=CC(=C(C=C2)OCCC(C)C)Br

InChI

InChI=1S/C21H23BrO5/c1-4-25-20(23)15-6-5-7-17(12-15)27-21(24)16-8-9-19(18(22)13-16)26-11-10-14(2)3/h5-9,12-14H,4,10-11H2,1-3H3