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

Systemtic Name: ethyl 4-[(2S)-3-[2-(2-bromanylphenoxy)ethoxy]-2-oxidanyl-propyl]piperazine-1-carboxylate Openeye Name: ethyl 4-[(2S)-3-[2-(2-bromophenoxy)ethoxy]-2-hydroxy-propyl]piperazine-1-carboxylate CAS Name: 4-[(2S)-3-[2-(2-bromophenoxy)ethoxy]-2-hydroxypropyl]-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-[(2S)-3-[2-(2-bromophenoxy)ethoxy]-2-hydroxypropyl]piperazine-1-carboxylate Traditional Name: 4-[(2S)-3-[2-(2-bromophenoxy)ethoxy]-2-hydroxy-propyl]piperazine-1-carboxylic acid ethyl ester Formula: C18H27BrN2O5 MolecularWeight: 431.32138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)CC(COCCOC2=CC=CC=C2Br)O

Isomeric SMILES

CCOC(=O)N1CCN(CC1)C[C@@H](COCCOC2=CC=CC=C2Br)O

InChI

InChI=1S/C18H27BrN2O5/c1-2-25-18(23)21-9-7-20(8-10-21)13-15(22)14-24-11-12-26-17-6-4-3-5-16(17)19/h3-6,15,22H,2,7-14H2,1H3/t15-/m0/s1