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

Systemtic Name: methyl (1S,4S,8S)-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Openeye Name: methyl (1S,4S,8S)-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate CAS Name: (1S,4S,8S)-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid methyl ester IUPAC Name: methyl (1S,4S,8S)-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Traditional Name: (1S,4S,8S)-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid methyl ester Formula: C15H17NO2 MolecularWeight: 243.30098

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC2CC(C1C=C2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)N1C[C@H]2C[C@H]([C@@H]1C=C2)C3=CC=CC=C3

InChI

InChI=1S/C15H17NO2/c1-18-15(17)16-10-11-7-8-14(16)13(9-11)12-5-3-2-4-6-12/h2-8,11,13-14H,9-10H2,1H3/t11-,13+,14+/m1/s1