(phenylmethyl) 5-chloranyl-5-(6-methoxypyridin-2-yl)-3-azabicyclo[2.2.2]octane-3-carboxylate

Systemtic Name: (phenylmethyl) 5-chloranyl-5-(6-methoxypyridin-2-yl)-3-azabicyclo[2.2.2]octane-3-carboxylate Openeye Name: benzyl 5-chloro-5-(6-methoxy-2-pyridyl)-3-azabicyclo[2.2.2]octane-3-carboxylate CAS Name: 5-chloro-5-(6-methoxy-2-pyridinyl)-3-azabicyclo[2.2.2]octane-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 5-chloro-5-(6-methoxypyridin-2-yl)-3-azabicyclo[2.2.2]octane-3-carboxylate Traditional Name: 5-chloro-5-(6-methoxy-2-pyridyl)-3-azabicyclo[2.2.2]octane-3-carboxylic acid benzyl ester Formula: C21H23ClN2O3 MolecularWeight: 386.87192

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=N1)C2(CC3CCC2N(C3)C(=O)OCC4=CC=CC=C4)Cl

Isomeric SMILES

COC1=CC=CC(=N1)C2(CC3CCC2N(C3)C(=O)OCC4=CC=CC=C4)Cl

InChI

InChI=1S/C21H23ClN2O3/c1-26-19-9-5-8-17(23-19)21(22)12-16-10-11-18(21)24(13-16)20(25)27-14-15-6-3-2-4-7-15/h2-9,16,18H,10-14H2,1H3