tert-butyl 4-oxidanylidene-3-(3-phenylpropyl)-3,9-diazabicyclo[3.3.1]nonane-9-carboxylate

Systemtic Name: tert-butyl 4-oxidanylidene-3-(3-phenylpropyl)-3,9-diazabicyclo[3.3.1]nonane-9-carboxylate Openeye Name: tert-butyl 4-oxo-3-(3-phenylpropyl)-3,9-diazabicyclo[3.3.1]nonane-9-carboxylate CAS Name: 4-oxo-3-(3-phenylpropyl)-3,9-diazabicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-oxo-3-(3-phenylpropyl)-3,9-diazabicyclo[3.3.1]nonane-9-carboxylate Traditional Name: 4-keto-3-(3-phenylpropyl)-3,9-diazabicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester Formula: C21H30N2O3 MolecularWeight: 358.4745

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CCCC1C(=O)N(C2)CCCC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1C2CCCC1C(=O)N(C2)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H30N2O3/c1-21(2,3)26-20(25)23-17-12-7-13-18(23)19(24)22(15-17)14-8-11-16-9-5-4-6-10-16/h4-6,9-10,17-18H,7-8,11-15H2,1-3H3