ethyl 1-(5-bromanyl-2-ethoxy-phenyl)carbonylpiperidine-4-carboxylate

Systemtic Name: ethyl 1-(5-bromanyl-2-ethoxy-phenyl)carbonylpiperidine-4-carboxylate Openeye Name: ethyl 1-(5-bromo-2-ethoxy-benzoyl)piperidine-4-carboxylate CAS Name: 1-[(5-bromo-2-ethoxyphenyl)-oxomethyl]-4-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(5-bromo-2-ethoxybenzoyl)piperidine-4-carboxylate Traditional Name: 1-(5-bromo-2-ethoxy-benzoyl)isonipecotic acid ethyl ester Formula: C17H22BrNO4 MolecularWeight: 384.26488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)Br)C(=O)N2CCC(CC2)C(=O)OCC

Isomeric SMILES

CCOC1=C(C=C(C=C1)Br)C(=O)N2CCC(CC2)C(=O)OCC

InChI

InChI=1S/C17H22BrNO4/c1-3-22-15-6-5-13(18)11-14(15)16(20)19-9-7-12(8-10-19)17(21)23-4-2/h5-6,11-12H,3-4,7-10H2,1-2H3