tert-butyl 3-fluoranyl-2-methyl-5-pyridin-3-yl-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate

Systemtic Name: tert-butyl 3-fluoranyl-2-methyl-5-pyridin-3-yl-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate Openeye Name: tert-butyl 3-fluoro-2-methyl-5-(3-pyridyl)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate CAS Name: 3-fluoro-2-methyl-5-(3-pyridinyl)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-fluoro-2-methyl-5-pyridin-3-yl-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylate Traditional Name: 3-fluoro-2-methyl-5-(3-pyridyl)-7-azabicyclo[2.2.1]hept-2-ene-7-carboxylic acid tert-butyl ester Formula: C17H21FN2O2 MolecularWeight: 304.359243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2C(CC1N2C(=O)OC(C)(C)C)C3=CN=CC=C3)F

Isomeric SMILES

CC1=C(C2C(CC1N2C(=O)OC(C)(C)C)C3=CN=CC=C3)F

InChI

InChI=1S/C17H21FN2O2/c1-10-13-8-12(11-6-5-7-19-9-11)15(14(10)18)20(13)16(21)22-17(2,3)4/h5-7,9,12-13,15H,8H2,1-4H3