phenacyl 3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]benzoate

Systemtic Name: phenacyl 3-bromanyl-5-ethoxy-4-[(4-methylphenyl)methoxy]benzoate Openeye Name: phenacyl 3-bromo-5-ethoxy-4-(p-tolylmethoxy)benzoate CAS Name: 3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]benzoic acid phenacyl ester IUPAC Name: phenacyl 3-bromo-5-ethoxy-4-[(4-methylphenyl)methoxy]benzoate Traditional Name: 3-bromo-5-ethoxy-4-(4-methylbenzyl)oxy-benzoic acid phenacyl ester Formula: C25H23BrO5 MolecularWeight: 483.35112

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)C2=CC=CC=C2)Br)OCC3=CC=C(C=C3)C

Isomeric SMILES

CCOC1=C(C(=CC(=C1)C(=O)OCC(=O)C2=CC=CC=C2)Br)OCC3=CC=C(C=C3)C

InChI

InChI=1S/C25H23BrO5/c1-3-29-23-14-20(25(28)31-16-22(27)19-7-5-4-6-8-19)13-21(26)24(23)30-15-18-11-9-17(2)10-12-18/h4-14H,3,15-16H2,1-2H3