methyl (1S,4S,8S)-2-tert-butyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate

Systemtic Name: methyl (1S,4S,8S)-2-tert-butyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Openeye Name: methyl (1S,4S,8S)-2-tert-butyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate CAS Name: (1S,4S,8S)-2-tert-butyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid methyl ester IUPAC Name: methyl (1S,4S,8S)-2-tert-butyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Traditional Name: (1S,4S,8S)-2-tert-butyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid methyl ester Formula: C19H25NO2 MolecularWeight: 299.4073

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC2C(CC1CN2C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC(C)(C)C1=C[C@H]2[C@@H](C[C@@H]1CN2C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C19H25NO2/c1-19(2,3)16-11-17-15(13-8-6-5-7-9-13)10-14(16)12-20(17)18(21)22-4/h5-9,11,14-15,17H,10,12H2,1-4H3/t14-,15+,17+/m1/s1