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

Systemtic Name: tert-butyl 7-[4-(4-cyanophenyl)-4-(4-oxidanylphenoxy)butyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Openeye Name: tert-butyl 7-[4-(4-cyanophenyl)-4-(4-hydroxyphenoxy)butyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate CAS Name: 7-[4-(4-cyanophenyl)-4-(4-hydroxyphenoxy)butyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-[4-(4-cyanophenyl)-4-(4-hydroxyphenoxy)butyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 7-[4-(4-cyanophenyl)-4-(4-hydroxyphenoxy)butyl]-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester Formula: C29H37N3O4 MolecularWeight: 491.62178

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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)OC4=CC=C(C=C4)O

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2CC(C1)CN(C2)CCCC(C3=CC=C(C=C3)C#N)OC4=CC=C(C=C4)O

InChI

InChI=1S/C29H37N3O4/c1-29(2,3)36-28(34)32-19-22-15-23(20-32)18-31(17-22)14-4-5-27(24-8-6-21(16-30)7-9-24)35-26-12-10-25(33)11-13-26/h6-13,22-23,27,33H,4-5,14-15,17-20H2,1-3H3