ethyl 2-ethyl-5,6-bis(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate

Systemtic Name: ethyl 2-ethyl-5,6-bis(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate Openeye Name: ethyl 5,6-dibenzyl-2-ethyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate CAS Name: 2-ethyl-5,6-bis(phenylmethyl)-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid ethyl ester IUPAC Name: ethyl 5,6-dibenzyl-2-ethyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylate Traditional Name: 5,6-dibenzyl-2-ethyl-5-azabicyclo[2.2.2]oct-2-ene-8-carboxylic acid ethyl ester Formula: C26H31NO2 MolecularWeight: 389.52984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2C(CC1C(N2CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OCC

Isomeric SMILES

CCC1=CC2C(CC1C(N2CC3=CC=CC=C3)CC4=CC=CC=C4)C(=O)OCC

InChI

InChI=1S/C26H31NO2/c1-3-21-16-25-23(26(28)29-4-2)17-22(21)24(15-19-11-7-5-8-12-19)27(25)18-20-13-9-6-10-14-20/h5-14,16,22-25H,3-4,15,17-18H2,1-2H3