ethyl 6,6-dimethyl-4-oxidanylidene-3-(phenylmethyl)-3-azabicyclo[3.1.0]hexane-5-carboxylate

Systemtic Name: ethyl 6,6-dimethyl-4-oxidanylidene-3-(phenylmethyl)-3-azabicyclo[3.1.0]hexane-5-carboxylate Openeye Name: ethyl 3-benzyl-6,6-dimethyl-4-oxo-3-azabicyclo[3.1.0]hexane-5-carboxylate CAS Name: 6,6-dimethyl-4-oxo-3-(phenylmethyl)-3-azabicyclo[3.1.0]hexane-5-carboxylic acid ethyl ester IUPAC Name: ethyl 3-benzyl-6,6-dimethyl-4-oxo-3-azabicyclo[3.1.0]hexane-5-carboxylate Traditional Name: 3-benzyl-4-keto-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-5-carboxylic acid ethyl ester Formula: C17H21NO3 MolecularWeight: 287.35354

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C12C(C1(C)C)CN(C2=O)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)C12C(C1(C)C)CN(C2=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H21NO3/c1-4-21-15(20)17-13(16(17,2)3)11-18(14(17)19)10-12-8-6-5-7-9-12/h5-9,13H,4,10-11H2,1-3H3