methyl 5-butyl-8-chloranyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate

Systemtic Name: methyl 5-butyl-8-chloranyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate Openeye Name: methyl 5-butyl-8-chloro-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate CAS Name: 5-butyl-8-chloro-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid methyl ester IUPAC Name: methyl 5-butyl-8-chloro-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate Traditional Name: 5-butyl-8-chloro-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid methyl ester Formula: C13H20ClNO2 MolecularWeight: 257.7564

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1CC2CC(C1C=C2)(C(=O)OC)Cl

Isomeric SMILES

CCCCN1CC2CC(C1C=C2)(C(=O)OC)Cl

InChI

InChI=1S/C13H20ClNO2/c1-3-4-7-15-9-10-5-6-11(15)13(14,8-10)12(16)17-2/h5-6,10-11H,3-4,7-9H2,1-2H3