ethyl (2E)-2-ethylidene-5,6-bis(phenylmethyl)-5-azabicyclo[2.2.2]octane-8-carboxylate

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2C(N(C1CC2=CC)CC3=CC=CC=C3)CC4=CC=CC=C4

Isomeric SMILES

CCOC(=O)C1CC\2C(N(C1C/C2=C\C)CC3=CC=CC=C3)CC4=CC=CC=C4

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/h3,5-14,22-25H,4,15-18H2,1-2H3/b21-3+