[2-oxidanylidene-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 4-(2-cyanoethanoylamino)benzoate

Systemtic Name: [2-oxidanylidene-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 4-(2-cyanoethanoylamino)benzoate Openeye Name: [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 4-[(2-cyanoacetyl)amino]benzoate CAS Name: 4-[(2-cyano-1-oxoethyl)amino]benzoic acid [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] ester IUPAC Name: [2-oxo-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] 4-[(2-cyanoacetyl)amino]benzoate Traditional Name: 4-[(2-cyanoacetyl)amino]benzoic acid [2-keto-2-(3,3,5-trimethyl-7-azabicyclo[3.2.1]octan-7-yl)ethyl] ester Formula: C22H27N3O4 MolecularWeight: 397.46748

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CC(C1)(CN2C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)C)C

Isomeric SMILES

CC1(CC2CC(C1)(CN2C(=O)COC(=O)C3=CC=C(C=C3)NC(=O)CC#N)C)C

InChI

InChI=1S/C22H27N3O4/c1-21(2)10-17-11-22(3,13-21)14-25(17)19(27)12-29-20(28)15-4-6-16(7-5-15)24-18(26)8-9-23/h4-7,17H,8,10-14H2,1-3H3,(H,24,26)