methyl (1S,4R,8S)-3-methyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate

Systemtic Name: methyl (1S,4R,8S)-3-methyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Openeye Name: methyl (1S,4R,8S)-3-methyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate CAS Name: (1S,4R,8S)-3-methyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid methyl ester IUPAC Name: methyl (1S,4R,8S)-3-methyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Traditional Name: (1S,4R,8S)-3-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:

CC1=CC2CC(C1N(C2)C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CC1=C[C@@H]2C[C@H]([C@H]1N(C2)C(=O)OC)C3=CC=CC=C3

InChI

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