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

Systemtic Name: (3-propoxycarbonylphenyl) 3-bromanyl-4-propoxy-benzoate Openeye Name: (3-propoxycarbonylphenyl) 3-bromo-4-propoxy-benzoate CAS Name: 3-bromo-4-propoxybenzoic acid [3-[oxo(propoxy)methyl]phenyl] ester IUPAC Name: (3-propoxycarbonylphenyl) 3-bromo-4-propoxybenzoate Traditional Name: 3-bromo-4-propoxy-benzoic acid (3-propoxycarbonylphenyl) ester Formula: C20H21BrO5 MolecularWeight: 421.28174

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCCC)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OC2=CC=CC(=C2)C(=O)OCCC)Br

InChI

InChI=1S/C20H21BrO5/c1-3-10-24-18-9-8-15(13-17(18)21)20(23)26-16-7-5-6-14(12-16)19(22)25-11-4-2/h5-9,12-13H,3-4,10-11H2,1-2H3