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

Systemtic Name: methyl (1S,4S,8S)-4-methyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Openeye Name: methyl (1S,4S,8S)-4-methyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate CAS Name: (1S,4S,8S)-4-methyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid methyl ester IUPAC Name: methyl (1S,4S,8S)-4-methyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Traditional Name: (1S,4S,8S)-4-methyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid methyl ester Formula: C16H19NO2 MolecularWeight: 257.32756

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Descriptors Computed from Structure

Canonical SMILES:

CC12C=CC(CC1C3=CC=CC=C3)CN2C(=O)OC

Isomeric SMILES

C[C@]12C=C[C@H](C[C@H]1C3=CC=CC=C3)CN2C(=O)OC

InChI

InChI=1S/C16H19NO2/c1-16-9-8-12(11-17(16)15(18)19-2)10-14(16)13-6-4-3-5-7-13/h3-9,12,14H,10-11H2,1-2H3/t12-,14+,16+/m1/s1