2-(1,4-diazabicyclo[2.2.2]octan-3-yl)ethyl 3-oxidanylidenebutanoate

Systemtic Name: 2-(1,4-diazabicyclo[2.2.2]octan-3-yl)ethyl 3-oxidanylidenebutanoate Openeye Name: 2-(1,4-diazabicyclo[2.2.2]octan-3-yl)ethyl 3-oxobutanoate CAS Name: 3-oxobutanoic acid 2-(1,4-diazabicyclo[2.2.2]octan-3-yl)ethyl ester IUPAC Name: 2-(1,4-diazabicyclo[2.2.2]octan-3-yl)ethyl 3-oxobutanoate Traditional Name: 3-ketobutyric acid 2-(1,4-diazabicyclo[2.2.2]octan-3-yl)ethyl ester Formula: C12H20N2O3 MolecularWeight: 240.2988

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CC(=O)OCCC1CN2CCN1CC2

Isomeric SMILES

CC(=O)CC(=O)OCCC1CN2CCN1CC2

InChI

InChI=1S/C12H20N2O3/c1-10(15)8-12(16)17-7-2-11-9-13-3-5-14(11)6-4-13/h11H,2-9H2,1H3