tert-butyl 7-[4-(4-cyanophenyl)-4-oxidanyl-butyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: tert-butyl 7-[4-(4-cyanophenyl)-4-oxidanyl-butyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Openeye Name: tert-butyl 7-[4-(4-cyanophenyl)-4-hydroxy-butyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate CAS Name: 7-[4-(4-cyanophenyl)-4-hydroxybutyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[4-(4-cyanophenyl)-4-hydroxybutyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 7-[4-(4-cyanophenyl)-4-hydroxy-butyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester Formula: C23H33N3O3 MolecularWeight: 399.52642

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC(C1)CN(C2)CCCC(C3=CC=C(C=C3)C#N)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2CC(C1)CN(C2)CCCC(C3=CC=C(C=C3)C#N)O

InChI

InChI=1S/C23H33N3O3/c1-23(2,3)29-22(28)26-15-18-11-19(16-26)14-25(13-18)10-4-5-21(27)20-8-6-17(12-24)7-9-20/h6-9,18-19,21,27H,4-5,10-11,13-16H2,1-3H3