ethyl 4-[2-(4-bromanyl-3,5-dimethyl-phenoxy)ethanoyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-bromanyl-3,5-dimethyl-phenoxy)ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-bromo-3,5-dimethyl-phenoxy)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-bromo-3,5-dimethylphenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-bromo-3,5-dimethylphenoxy)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-bromo-3,5-dimethyl-phenoxy)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C17H23BrN2O4 MolecularWeight: 399.27952

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)C(=O)COC2=CC(=C(C(=C2)C)Br)C

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C(=O)COC2=CC(=C(C(=C2)C)Br)C

InChI

InChI=1S/C17H23BrN2O4/c1-4-23-17(22)20-7-5-19(6-8-20)15(21)11-24-14-9-12(2)16(18)13(3)10-14/h9-10H,4-8,11H2,1-3H3