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

Systemtic Name: methyl (1S,4S,8S)-2-ethyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Openeye Name: methyl (1S,4S,8S)-2-ethyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate CAS Name: (1S,4S,8S)-2-ethyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid methyl ester IUPAC Name: methyl (1S,4S,8S)-2-ethyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylate Traditional Name: (1S,4S,8S)-2-ethyl-8-phenyl-5-azabicyclo[2.2.2]oct-2-ene-5-carboxylic acid methyl ester Formula: C17H21NO2 MolecularWeight: 271.35414

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2C(CC1CN2C(=O)OC)C3=CC=CC=C3

Isomeric SMILES

CCC1=C[C@H]2[C@@H](C[C@@H]1CN2C(=O)OC)C3=CC=CC=C3

InChI

InChI=1S/C17H21NO2/c1-3-12-10-16-15(13-7-5-4-6-8-13)9-14(12)11-18(16)17(19)20-2/h4-8,10,14-16H,3,9,11H2,1-2H3/t14-,15+,16+/m1/s1