1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-cyclopentyl-2-oxidanyl-pent-3-ynoate

Systemtic Name: 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-cyclopentyl-2-oxidanyl-pent-3-ynoate Openeye Name: 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-cyclopentyl-2-hydroxy-pent-3-ynoate CAS Name: 2-cyclopentyl-2-hydroxy-3-pentynoic acid 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl ester IUPAC Name: 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl 2-cyclopentyl-2-hydroxypent-3-ynoate Traditional Name: 2-cyclopentyl-2-hydroxy-pent-3-ynoic acid 1-azabicyclo[2.2.2]oct-2-en-3-ylmethyl ester Formula: C18H25NO3 MolecularWeight: 303.396

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Descriptors Computed from Structure

Canonical SMILES:

CC#CC(C1CCCC1)(C(=O)OCC2=CN3CCC2CC3)O

Isomeric SMILES

CC#CC(C1CCCC1)(C(=O)OCC2=CN3CCC2CC3)O

InChI

InChI=1S/C18H25NO3/c1-2-9-18(21,16-5-3-4-6-16)17(20)22-13-15-12-19-10-7-14(15)8-11-19/h12,14,16,21H,3-8,10-11,13H2,1H3