phenethyl 5-bromanyl-2-ethoxy-benzoate

Systemtic Name: phenethyl 5-bromanyl-2-ethoxy-benzoate Openeye Name: phenethyl 5-bromo-2-ethoxy-benzoate CAS Name: 5-bromo-2-ethoxybenzoic acid phenethyl ester IUPAC Name: phenethyl 5-bromo-2-ethoxybenzoate Traditional Name: 5-bromo-2-ethoxy-benzoic acid phenethyl ester Formula: C17H17BrO3 MolecularWeight: 349.21908

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)OCCC2=CC=CC=C2

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)OCCC2=CC=CC=C2

InChI

InChI=1S/C17H17BrO3/c1-2-20-16-9-8-14(18)12-15(16)17(19)21-11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3