tert-butyl 9-(phenylmethoxycarbonylamino)-3-azabicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: tert-butyl 9-(phenylmethoxycarbonylamino)-3-azabicyclo[3.3.1]nonane-3-carboxylate Openeye Name: tert-butyl 9-(benzyloxycarbonylamino)-3-azabicyclo[3.3.1]nonane-3-carboxylate CAS Name: 9-(phenylmethoxycarbonylamino)-3-azabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 9-(phenylmethoxycarbonylamino)-3-azabicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 9-(benzyloxycarbonylamino)-3-azabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester Formula: C21H30N2O4 MolecularWeight: 374.4739

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CCCC(C1)C2NC(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2CCCC(C1)C2NC(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C21H30N2O4/c1-21(2,3)27-20(25)23-12-16-10-7-11-17(13-23)18(16)22-19(24)26-14-15-8-5-4-6-9-15/h4-6,8-9,16-18H,7,10-14H2,1-3H3,(H,22,24)