7-[3-(4-cyanophenoxy)-2-oxidanyl-propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: 7-[3-(4-cyanophenoxy)-2-oxidanyl-propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Openeye Name: 7-[3-(4-cyanophenoxy)-2-hydroxy-propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate CAS Name: 7-[3-(4-cyanophenoxy)-2-hydroxypropyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate IUPAC Name: 7-[3-(4-cyanophenoxy)-2-hydroxypropyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 7-[3-(4-cyanophenoxy)-2-hydroxy-propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Formula: C17H20N3O5- MolecularWeight: 346.3578

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(CC(O2)CN1CC(COC3=CC=C(C=C3)C#N)O)C(=O)[O-]

Isomeric SMILES

C1C2CN(CC(O2)CN1CC(COC3=CC=C(C=C3)C#N)O)C(=O)[O-]

InChI

InChI=1S/C17H21N3O5/c18-5-12-1-3-14(4-2-12)24-11-13(21)6-19-7-15-9-20(17(22)23)10-16(8-19)25-15/h1-4,13,15-16,21H,6-11H2,(H,22,23)/p-1