phenacyl 3-bromanyl-5-ethoxy-4-propoxy-benzoate

Systemtic Name: phenacyl 3-bromanyl-5-ethoxy-4-propoxy-benzoate Openeye Name: phenacyl 3-bromo-5-ethoxy-4-propoxy-benzoate CAS Name: 3-bromo-5-ethoxy-4-propoxybenzoic acid phenacyl ester IUPAC Name: phenacyl 3-bromo-5-ethoxy-4-propoxybenzoate Traditional Name: 3-bromo-5-ethoxy-4-propoxy-benzoic acid phenacyl ester Formula: C20H21BrO5 MolecularWeight: 421.28174

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=CC=CC=C2)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Br)C(=O)OCC(=O)C2=CC=CC=C2)OCC

InChI

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