phenethyl 3-bromanyl-4-propoxy-benzoate

Systemtic Name: phenethyl 3-bromanyl-4-propoxy-benzoate Openeye Name: phenethyl 3-bromo-4-propoxy-benzoate CAS Name: 3-bromo-4-propoxybenzoic acid phenethyl ester IUPAC Name: phenethyl 3-bromo-4-propoxybenzoate Traditional Name: 3-bromo-4-propoxy-benzoic acid phenethyl ester Formula: C18H19BrO3 MolecularWeight: 363.24566

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)C(=O)OCCC2=CC=CC=C2)Br

Isomeric SMILES

CCCOC1=C(C=C(C=C1)C(=O)OCCC2=CC=CC=C2)Br

InChI

InChI=1S/C18H19BrO3/c1-2-11-21-17-9-8-15(13-16(17)19)18(20)22-12-10-14-6-4-3-5-7-14/h3-9,13H,2,10-12H2,1H3