7-[2-(4-cyanophenyl)-2-oxidanyl-ethyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: 7-[2-(4-cyanophenyl)-2-oxidanyl-ethyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Openeye Name: 7-[2-(4-cyanophenyl)-2-hydroxy-ethyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate CAS Name: 7-[2-(4-cyanophenyl)-2-hydroxyethyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate IUPAC Name: 7-[2-(4-cyanophenyl)-2-hydroxyethyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 7-[2-(4-cyanophenyl)-2-hydroxy-ethyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Formula: C17H20N3O3- MolecularWeight: 314.359

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(CC1CN(C2)C(=O)[O-])CC(C3=CC=C(C=C3)C#N)O

Isomeric SMILES

C1C2CN(CC1CN(C2)C(=O)[O-])CC(C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C17H21N3O3/c18-6-12-1-3-15(4-2-12)16(21)11-19-7-13-5-14(8-19)10-20(9-13)17(22)23/h1-4,13-14,16,21H,5,7-11H2,(H,22,23)/p-1