phenyl 3-bromanyl-4-phenethyloxy-benzoate

Systemtic Name: phenyl 3-bromanyl-4-phenethyloxy-benzoate Openeye Name: phenyl 3-bromo-4-phenethyloxy-benzoate CAS Name: 3-bromo-4-phenethyloxybenzoic acid phenyl ester IUPAC Name: phenyl 3-bromo-4-phenethyloxybenzoate Traditional Name: 3-bromo-4-phenethyloxy-benzoic acid phenyl ester Formula: C21H17BrO3 MolecularWeight: 397.26188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)Br

Isomeric SMILES

C1=CC=C(C=C1)CCOC2=C(C=C(C=C2)C(=O)OC3=CC=CC=C3)Br

InChI

InChI=1S/C21H17BrO3/c22-19-15-17(21(23)25-18-9-5-2-6-10-18)11-12-20(19)24-14-13-16-7-3-1-4-8-16/h1-12,15H,13-14H2