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

Systemtic Name: 7-[4-(4-cyanophenyl)butyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Openeye Name: 7-[4-(4-cyanophenyl)butyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate CAS Name: 7-[4-(4-cyanophenyl)butyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate IUPAC Name: 7-[4-(4-cyanophenyl)butyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 7-[4-(4-cyanophenyl)butyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Formula: C18H22N3O3- MolecularWeight: 328.38558

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Descriptors Computed from Structure

Canonical SMILES:

C1C2CN(CC(O2)CN1CCCCC3=CC=C(C=C3)C#N)C(=O)[O-]

Isomeric SMILES

C1C2CN(CC(O2)CN1CCCCC3=CC=C(C=C3)C#N)C(=O)[O-]

InChI

InChI=1S/C18H23N3O3/c19-9-15-6-4-14(5-7-15)3-1-2-8-20-10-16-12-21(18(22)23)13-17(11-20)24-16/h4-7,16-17H,1-3,8,10-13H2,(H,22,23)/p-1