[2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-ethoxy-4-propoxy-benzoate

Systemtic Name: [2-(4-bromophenyl)-2-oxidanylidene-ethyl] 3-ethoxy-4-propoxy-benzoate Openeye Name: [2-(4-bromophenyl)-2-oxo-ethyl] 3-ethoxy-4-propoxy-benzoate CAS Name: 3-ethoxy-4-propoxybenzoic acid [2-(4-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-bromophenyl)-2-oxoethyl] 3-ethoxy-4-propoxybenzoate Traditional Name: 3-ethoxy-4-propoxy-benzoic acid [2-(4-bromophenyl)-2-keto-ethyl] ester Formula: C20H21BrO5 MolecularWeight: 421.28174

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC=C(C=C2)Br)OCC

InChI

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