ethyl 4-[2-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]oxyethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-[(E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoyl]oxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoyl]oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(E)-3-(5-bromo-2-fluorophenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(E)-3-(5-bromo-2-fluorophenyl)prop-2-enoyl]oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(E)-3-(5-bromo-2-fluoro-phenyl)acryloyl]oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H20BrFN2O5 MolecularWeight: 443.264203

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C18H20BrFN2O5/c1-2-26-18(25)22-9-7-21(8-10-22)16(23)12-27-17(24)6-3-13-11-14(19)4-5-15(13)20/h3-6,11H,2,7-10,12H2,1H3/b6-3+