tert-butyl 3-(2-chloranyl-4-fluoranyl-phenyl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate

Systemtic Name: tert-butyl 3-(2-chloranyl-4-fluoranyl-phenyl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate Openeye Name: tert-butyl 3-(2-chloro-4-fluoro-phenyl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate CAS Name: 3-(2-chloro-4-fluorophenyl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(2-chloro-4-fluorophenyl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylate Traditional Name: 3-(2-chloro-4-fluoro-phenyl)-8-azabicyclo[3.2.1]oct-3-ene-8-carboxylic acid tert-butyl ester Formula: C18H21ClFNO2 MolecularWeight: 337.816243

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CCC1C=C(C2)C3=C(C=C(C=C3)F)Cl

Isomeric SMILES

CC(C)(C)OC(=O)N1C2CCC1C=C(C2)C3=C(C=C(C=C3)F)Cl

InChI

InChI=1S/C18H21ClFNO2/c1-18(2,3)23-17(22)21-13-5-6-14(21)9-11(8-13)15-7-4-12(20)10-16(15)19/h4,7-8,10,13-14H,5-6,9H2,1-3H3