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

Systemtic Name: methyl (1S,4S,8S)-2,8-diphenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Openeye Name: methyl (1S,4S,8S)-2,8-diphenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate CAS Name: (1S,4S,8S)-2,8-diphenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid methyl ester IUPAC Name: methyl (1S,4S,8S)-2,8-diphenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Traditional Name: (1S,4S,8S)-2,8-diphenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid methyl ester Formula: C21H21NO2 MolecularWeight: 319.39694

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N1CC2CC(C1C=C2C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

COC(=O)N1C[C@H]2C[C@H]([C@@H]1C=C2C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C21H21NO2/c1-24-21(23)22-14-17-12-19(16-10-6-3-7-11-16)20(22)13-18(17)15-8-4-2-5-9-15/h2-11,13,17,19-20H,12,14H2,1H3/t17-,19+,20+/m1/s1