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

Systemtic Name: (3-propoxycarbonylphenyl) 3-bromanyl-4-butoxy-benzoate Openeye Name: (3-propoxycarbonylphenyl) 3-bromo-4-butoxy-benzoate CAS Name: 3-bromo-4-butoxybenzoic acid [3-[oxo(propoxy)methyl]phenyl] ester IUPAC Name: (3-propoxycarbonylphenyl) 3-bromo-4-butoxybenzoate Traditional Name: 3-bromo-4-butoxy-benzoic acid (3-propoxycarbonylphenyl) ester Formula: C21H23BrO5 MolecularWeight: 435.30832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrO5/c1-3-5-12-25-19-10-9-16(14-18(19)22)21(24)27-17-8-6-7-15(13-17)20(23)26-11-4-2/h6-10,13-14H,3-5,11-12H2,1-2H3