tert-butyl 7-(3-oxidanylidene-3-phenylazanyl-propyl)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate

Systemtic Name: tert-butyl 7-(3-oxidanylidene-3-phenylazanyl-propyl)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Openeye Name: tert-butyl 7-(3-anilino-3-oxo-propyl)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate CAS Name: 7-(3-anilino-3-oxopropyl)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 7-(3-anilino-3-oxopropyl)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylate Traditional Name: 7-(3-anilino-3-keto-propyl)-3,7-diazabicyclo[3.3.1]nonane-3-carboxylic acid tert-butyl ester Formula: C21H31N3O3 MolecularWeight: 373.48914

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CC2CC(C1)CN(C2)CCC(=O)NC3=CC=CC=C3

Isomeric SMILES

CC(C)(C)OC(=O)N1CC2CC(C1)CN(C2)CCC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C21H31N3O3/c1-21(2,3)27-20(26)24-14-16-11-17(15-24)13-23(12-16)10-9-19(25)22-18-7-5-4-6-8-18/h4-8,16-17H,9-15H2,1-3H3,(H,22,25)