ethyl 1-[3-(2-bromanylphenoxy)-2-oxidanyl-propyl]piperidine-3-carboxylate hydrochloride

Systemtic Name: ethyl 1-[3-(2-bromanylphenoxy)-2-oxidanyl-propyl]piperidine-3-carboxylate hydrochloride Openeye Name: ethyl 1-[3-(2-bromophenoxy)-2-hydroxy-propyl]piperidine-3-carboxylate hydrochloride CAS Name: 1-[3-(2-bromophenoxy)-2-hydroxypropyl]-3-piperidinecarboxylic acid ethyl ester hydrochloride IUPAC Name: ethyl 1-[3-(2-bromophenoxy)-2-hydroxypropyl]piperidine-3-carboxylate hydrochloride Traditional Name: 1-[3-(2-bromophenoxy)-2-hydroxy-propyl]nipecotic acid ethyl ester hydrochloride Formula: C17H25BrClNO4 MolecularWeight: 422.7417

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCCN(C1)CC(COC2=CC=CC=C2Br)O.Cl

Isomeric SMILES

CCOC(=O)C1CCCN(C1)CC(COC2=CC=CC=C2Br)O.Cl

InChI

InChI=1S/C17H24BrNO4.ClH/c1-2-22-17(21)13-6-5-9-19(10-13)11-14(20)12-23-16-8-4-3-7-15(16)18;/h3-4,7-8,13-14,20H,2,5-6,9-12H2,1H3;1H