methyl (1R,4S,7S)-4,6-dimethyl-7-phenyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate

Systemtic Name: methyl (1R,4S,7S)-4,6-dimethyl-7-phenyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate Openeye Name: methyl (1R,4S,7S)-4,6-dimethyl-7-phenyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate CAS Name: (1R,4S,7S)-4,6-dimethyl-7-phenyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylic acid methyl ester IUPAC Name: methyl (1R,4S,7S)-4,6-dimethyl-7-phenyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylate Traditional Name: (1R,4S,7S)-4,6-dimethyl-7-phenyl-2-azabicyclo[2.2.2]oct-5-ene-2-carboxylic acid methyl ester Formula: C17H21NO2 MolecularWeight: 271.35414

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2(CC(C1N(C2)C(=O)OC)C3=CC=CC=C3)C

Isomeric SMILES

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

InChI

InChI=1S/C17H21NO2/c1-12-9-17(2)10-14(13-7-5-4-6-8-13)15(12)18(11-17)16(19)20-3/h4-9,14-15H,10-11H2,1-3H3/t14-,15-,17+/m0/s1