tert-butyl 7-(4-pyridin-4-ylbutyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: tert-butyl 7-(4-pyridin-4-ylbutyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Openeye Name: tert-butyl 7-[4-(4-pyridyl)butyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate CAS Name: 7-(4-pyridin-4-ylbutyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(4-pyridin-4-ylbutyl)-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 7-[4-(4-pyridyl)butyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester Formula: C20H31N3O3 MolecularWeight: 361.47844

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CN(CC(C1)O2)CCCCC3=CC=NC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2CN(CC(C1)O2)CCCCC3=CC=NC=C3

InChI

InChI=1S/C20H31N3O3/c1-20(2,3)26-19(24)23-14-17-12-22(13-18(15-23)25-17)11-5-4-6-16-7-9-21-10-8-16/h7-10,17-18H,4-6,11-15H2,1-3H3