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

Systemtic Name: ethyl 1-[2-(4-bromanyl-2,3,5-trimethyl-phenoxy)ethanoyl]piperidine-4-carboxylate Openeye Name: ethyl 1-[2-(4-bromo-2,3,5-trimethyl-phenoxy)acetyl]piperidine-4-carboxylate CAS Name: 1-[2-(4-bromo-2,3,5-trimethylphenoxy)-1-oxoethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[2-(4-bromo-2,3,5-trimethylphenoxy)acetyl]piperidine-4-carboxylate Traditional Name: 1-[2-(4-bromo-2,3,5-trimethyl-phenoxy)acetyl]isonipecotic acid ethyl ester Formula: C19H26BrNO4 MolecularWeight: 412.31804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C(=O)COC2=C(C(=C(C(=C2)C)Br)C)C

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C(=O)COC2=C(C(=C(C(=C2)C)Br)C)C

InChI

InChI=1S/C19H26BrNO4/c1-5-24-19(23)15-6-8-21(9-7-15)17(22)11-25-16-10-12(2)18(20)14(4)13(16)3/h10,15H,5-9,11H2,1-4H3