1-azabicyclo[2.2.2]octan-3-yl N-[(4-isocyanophenyl)methyl]-N-phenyl-carbamate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl N-[(4-isocyanophenyl)methyl]-N-phenyl-carbamate Openeye Name: quinuclidin-3-yl N-[(4-isocyanophenyl)methyl]-N-phenyl-carbamate CAS Name: N-[(4-isocyanophenyl)methyl]-N-phenylcarbamic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl N-[(4-isocyanophenyl)methyl]-N-phenylcarbamate Traditional Name: N-(4-isocyanobenzyl)-N-phenyl-carbamic acid quinuclidin-3-yl ester Formula: C22H23N3O2 MolecularWeight: 361.43692

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Descriptors Computed from Structure

Canonical SMILES:

[C-]#[N+]C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4

Isomeric SMILES

[C-]#[N+]C1=CC=C(C=C1)CN(C2=CC=CC=C2)C(=O)OC3CN4CCC3CC4

InChI

InChI=1S/C22H23N3O2/c1-23-19-9-7-17(8-10-19)15-25(20-5-3-2-4-6-20)22(26)27-21-16-24-13-11-18(21)12-14-24/h2-10,18,21H,11-16H2