tert-butyl-[2-[3-[3-(4-cyanophenoxy)-2-oxidanyl-propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]carbamic acid

Systemtic Name: tert-butyl-[2-[3-[3-(4-cyanophenoxy)-2-oxidanyl-propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]carbamic acid Openeye Name: tert-butyl-[2-[3-[3-(4-cyanophenoxy)-2-hydroxy-propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]carbamic acid CAS Name: tert-butyl-[2-[3-[3-(4-cyanophenoxy)-2-hydroxypropyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]carbamic acid IUPAC Name: tert-butyl-[2-[3-[3-(4-cyanophenoxy)-2-hydroxypropyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]carbamic acid Traditional Name: tert-butyl-[2-[3-[3-(4-cyanophenoxy)-2-hydroxy-propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-7-yl]ethyl]carbamic acid Formula: C23H34N4O5 MolecularWeight: 446.53986

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CCN1CC2CN(CC(C1)O2)CC(COC3=CC=C(C=C3)C#N)O)C(=O)O

Isomeric SMILES

CC(C)(C)N(CCN1CC2CN(CC(C1)O2)CC(COC3=CC=C(C=C3)C#N)O)C(=O)O

InChI

InChI=1S/C23H34N4O5/c1-23(2,3)27(22(29)30)9-8-25-12-20-14-26(15-21(13-25)32-20)11-18(28)16-31-19-6-4-17(10-24)5-7-19/h4-7,18,20-21,28H,8-9,11-16H2,1-3H3,(H,29,30)