(5-bromanyl-2-methoxy-phenyl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate

Systemtic Name: (5-bromanyl-2-methoxy-phenyl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Openeye Name: (5-bromo-2-methoxy-phenyl)methyl 1-(5-cyano-2-pyridyl)piperidine-4-carboxylate CAS Name: 1-(5-cyano-2-pyridinyl)-4-piperidinecarboxylic acid (5-bromo-2-methoxyphenyl)methyl ester IUPAC Name: (5-bromo-2-methoxyphenyl)methyl 1-(5-cyanopyridin-2-yl)piperidine-4-carboxylate Traditional Name: 1-(5-cyano-2-pyridyl)isonipecotic acid (5-bromo-2-methoxy-benzyl) ester Formula: C20H20BrN3O3 MolecularWeight: 430.2951

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Br)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

Isomeric SMILES

COC1=C(C=C(C=C1)Br)COC(=O)C2CCN(CC2)C3=NC=C(C=C3)C#N

InChI

InChI=1S/C20H20BrN3O3/c1-26-18-4-3-17(21)10-16(18)13-27-20(25)15-6-8-24(9-7-15)19-5-2-14(11-22)12-23-19/h2-5,10,12,15H,6-9,13H2,1H3