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

Systemtic Name: ethyl 4-[2-[(E)-3-(5-bromanyl-2-methoxy-phenyl)prop-2-enoyl]oxyethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-[(E)-3-(5-bromo-2-methoxy-phenyl)prop-2-enoyl]oxyacetyl]piperazine-1-carboxylate CAS Name: 4-[2-[(E)-3-(5-bromo-2-methoxyphenyl)-1-oxoprop-2-enoxy]-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-[(E)-3-(5-bromo-2-methoxyphenyl)prop-2-enoyl]oxyacetyl]piperazine-1-carboxylate Traditional Name: 4-[2-[(E)-3-(5-bromo-2-methoxy-phenyl)acryloyl]oxyacetyl]piperazine-1-carboxylic acid ethyl ester Formula: C19H23BrN2O6 MolecularWeight: 455.29972

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)OC

Isomeric SMILES

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

InChI

InChI=1S/C19H23BrN2O6/c1-3-27-19(25)22-10-8-21(9-11-22)17(23)13-28-18(24)7-4-14-12-15(20)5-6-16(14)26-2/h4-7,12H,3,8-11,13H2,1-2H3/b7-4+