ethyl (1S,4R,5S)-2-methyl-5-phenyl-2-azabicyclo[2.2.1]heptane-5-carboxylate

Systemtic Name: ethyl (1S,4R,5S)-2-methyl-5-phenyl-2-azabicyclo[2.2.1]heptane-5-carboxylate Openeye Name: ethyl (1S,4R,5S)-2-methyl-5-phenyl-2-azabicyclo[2.2.1]heptane-5-carboxylate CAS Name: (1S,4R,5S)-2-methyl-5-phenyl-2-azabicyclo[2.2.1]heptane-5-carboxylic acid ethyl ester IUPAC Name: ethyl (1S,4R,5S)-2-methyl-5-phenyl-2-azabicyclo[2.2.1]heptane-5-carboxylate Traditional Name: (1S,4R,5S)-2-methyl-5-phenyl-2-azabicyclo[2.2.1]heptane-5-carboxylic acid ethyl ester Formula: C16H21NO2 MolecularWeight: 259.34344

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2CC1CN2C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO2/c1-3-19-15(18)16(12-7-5-4-6-8-12)10-14-9-13(16)11-17(14)2/h4-8,13-14H,3,9-11H2,1-2H3/t13-,14-,16+/m0/s1