methyl 2-cyano-3-(3-oxidanylidene-1-azabicyclo[2.2.2]octan-2-yl)-3-phenyl-propanoate

Systemtic Name: methyl 2-cyano-3-(3-oxidanylidene-1-azabicyclo[2.2.2]octan-2-yl)-3-phenyl-propanoate Openeye Name: methyl 2-cyano-3-(3-oxoquinuclidin-2-yl)-3-phenyl-propanoate CAS Name: 2-cyano-3-(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)-3-phenylpropanoic acid methyl ester IUPAC Name: methyl 2-cyano-3-(3-oxo-1-azabicyclo[2.2.2]octan-2-yl)-3-phenylpropanoate Traditional Name: 2-cyano-3-(3-ketoquinuclidin-2-yl)-3-phenyl-propionic acid methyl ester Formula: C18H20N2O3 MolecularWeight: 312.363

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C#N)C(C1C(=O)C2CCN1CC2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(C#N)C(C1C(=O)C2CCN1CC2)C3=CC=CC=C3

InChI

InChI=1S/C18H20N2O3/c1-23-18(22)14(11-19)15(12-5-3-2-4-6-12)16-17(21)13-7-9-20(16)10-8-13/h2-6,13-16H,7-10H2,1H3