ethyl 4-[(2S)-3-(2-bromanylphenoxy)-2-oxidanyl-propyl]piperazine-1-carboxylate

Systemtic Name: ethyl 4-[(2S)-3-(2-bromanylphenoxy)-2-oxidanyl-propyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-3-(2-bromophenoxy)-2-hydroxy-propyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-3-(2-bromophenoxy)-2-hydroxypropyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-3-(2-bromophenoxy)-2-hydroxy-propyl]piperazine-1-carboxylic acid ethyl ester Formula: C16H23BrN2O4 MolecularWeight: 387.26882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(COC2=CC=CC=C2Br)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C[C@@H](COC2=CC=CC=C2Br)O

InChI

InChI=1S/C16H23BrN2O4/c1-2-22-16(21)19-9-7-18(8-10-19)11-13(20)12-23-15-6-4-3-5-14(15)17/h3-6,13,20H,2,7-12H2,1H3/t13-/m0/s1