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

Systemtic Name: ethyl 4-[2-(4-bromanyl-2,3,5-trimethyl-phenoxy)ethanoyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[2-(4-bromo-2,3,5-trimethyl-phenoxy)acetyl]piperazine-1-carboxylate CAS Name: 4-[2-(4-bromo-2,3,5-trimethylphenoxy)-1-oxoethyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-bromo-2,3,5-trimethylphenoxy)acetyl]piperazine-1-carboxylate Traditional Name: 4-[2-(4-bromo-2,3,5-trimethyl-phenoxy)acetyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H25BrN2O4 MolecularWeight: 413.3061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H25BrN2O4/c1-5-24-18(23)21-8-6-20(7-9-21)16(22)11-25-15-10-12(2)17(19)14(4)13(15)3/h10H,5-9,11H2,1-4H3