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

Systemtic Name: [2-(3-bromophenyl)-2-oxidanylidene-ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate Openeye Name: [2-(3-bromophenyl)-2-oxo-ethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate CAS Name: 3-ethoxy-4-(2-phenoxyethoxy)benzoic acid [2-(3-bromophenyl)-2-oxoethyl] ester IUPAC Name: [2-(3-bromophenyl)-2-oxoethyl] 3-ethoxy-4-(2-phenoxyethoxy)benzoate Traditional Name: 3-ethoxy-4-(2-phenoxyethoxy)benzoic acid [2-(3-bromophenyl)-2-keto-ethyl] ester Formula: C25H23BrO6 MolecularWeight: 499.35052

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC(=CC=C2)Br)OCCOC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(=O)OCC(=O)C2=CC(=CC=C2)Br)OCCOC3=CC=CC=C3

InChI

InChI=1S/C25H23BrO6/c1-2-29-24-16-19(25(28)32-17-22(27)18-7-6-8-20(26)15-18)11-12-23(24)31-14-13-30-21-9-4-3-5-10-21/h3-12,15-16H,2,13-14,17H2,1H3