1-azabicyclo[2.2.2]octan-3-yl N-[2,4-bis(fluoranyl)phenyl]-N-[(2,4-dichlorophenyl)methyl]carbamate

Systemtic Name: 1-azabicyclo[2.2.2]octan-3-yl N-[2,4-bis(fluoranyl)phenyl]-N-[(2,4-dichlorophenyl)methyl]carbamate Openeye Name: quinuclidin-3-yl N-[(2,4-dichlorophenyl)methyl]-N-(2,4-difluorophenyl)carbamate CAS Name: N-[(2,4-dichlorophenyl)methyl]-N-(2,4-difluorophenyl)carbamic acid 1-azabicyclo[2.2.2]octan-3-yl ester IUPAC Name: 1-azabicyclo[2.2.2]octan-3-yl N-[(2,4-dichlorophenyl)methyl]-N-(2,4-difluorophenyl)carbamate Traditional Name: N-(2,4-dichlorobenzyl)-N-(2,4-difluorophenyl)carbamic acid quinuclidin-3-yl ester Formula: C21H20Cl2F2N2O2 MolecularWeight: 441.298506

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Descriptors Computed from Structure

Canonical SMILES:

C1CN2CCC1C(C2)OC(=O)N(CC3=C(C=C(C=C3)Cl)Cl)C4=C(C=C(C=C4)F)F

Isomeric SMILES

C1CN2CCC1C(C2)OC(=O)N(CC3=C(C=C(C=C3)Cl)Cl)C4=C(C=C(C=C4)F)F

InChI

InChI=1S/C21H20Cl2F2N2O2/c22-15-2-1-14(17(23)9-15)11-27(19-4-3-16(24)10-18(19)25)21(28)29-20-12-26-7-5-13(20)6-8-26/h1-4,9-10,13,20H,5-8,11-12H2