2-(3-bromanylphenoxy)ethyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: 2-(3-bromanylphenoxy)ethyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: 2-(3-bromophenoxy)ethyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid 2-(3-bromophenoxy)ethyl ester IUPAC Name: 2-(3-bromophenoxy)ethyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid 2-(3-bromophenoxy)ethyl ester Formula: C20H20BrN3O3 MolecularWeight: 430.2951

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCCOC2=CC(=CC=C2)Br)C3=NC=C(C=C3)C#N

Isomeric SMILES

C1CN(CCC1C(=O)OCCOC2=CC(=CC=C2)Br)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H20BrN3O3/c21-17-2-1-3-18(12-17)26-10-11-27-20(25)16-6-8-24(9-7-16)19-5-4-15(13-22)14-23-19/h1-5,12,14,16H,6-11H2