[(3S)-1-methylpiperidin-3-yl] 2-(4-bromanylphenoxy)ethanoate

Systemtic Name: [(3S)-1-methylpiperidin-3-yl] 2-(4-bromanylphenoxy)ethanoate Openeye Name: [(3S)-1-methyl-3-piperidyl] 2-(4-bromophenoxy)acetate CAS Name: 2-(4-bromophenoxy)acetic acid [(3S)-1-methyl-3-piperidinyl] ester IUPAC Name: [(3S)-1-methylpiperidin-3-yl] 2-(4-bromophenoxy)acetate Traditional Name: 2-(4-bromophenoxy)acetic acid [(3S)-1-methyl-3-piperidyl] ester Formula: C14H18BrNO3 MolecularWeight: 328.20162

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCCC(C1)OC(=O)COC2=CC=C(C=C2)Br

Isomeric SMILES

CN1CCC[C@@H](C1)OC(=O)COC2=CC=C(C=C2)Br

InChI

InChI=1S/C14H18BrNO3/c1-16-8-2-3-13(9-16)19-14(17)10-18-12-6-4-11(15)5-7-12/h4-7,13H,2-3,8-10H2,1H3/t13-/m0/s1