tert-butyl-[2-[7-[3-[(4-cyanophenyl)amino]propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]carbamic acid

Systemtic Name: tert-butyl-[2-[7-[3-[(4-cyanophenyl)amino]propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]carbamic acid Openeye Name: tert-butyl-[2-[7-[3-(4-cyanoanilino)propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]carbamic acid CAS Name: tert-butyl-[2-[7-[3-(4-cyanoanilino)propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]carbamic acid IUPAC Name: tert-butyl-[2-[7-[3-(4-cyanoanilino)propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]carbamic acid Traditional Name: tert-butyl-[2-[7-[3-(4-cyanoanilino)propyl]-9-oxa-3,7-diazabicyclo[3.3.1]nonan-3-yl]ethyl]carbamic acid Formula: C23H35N5O3 MolecularWeight: 429.5557

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N(CCN1CC2CN(CC(C1)O2)CCCNC3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CC(C)(C)N(CCN1CC2CN(CC(C1)O2)CCCNC3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C23H35N5O3/c1-23(2,3)28(22(29)30)12-11-27-16-20-14-26(15-21(17-27)31-20)10-4-9-25-19-7-5-18(13-24)6-8-19/h5-8,20-21,25H,4,9-12,14-17H2,1-3H3,(H,29,30)