tert-butyl 3-(9H-xanthen-9-ylcarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate

Systemtic Name: tert-butyl 3-(9H-xanthen-9-ylcarbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate Openeye Name: tert-butyl 3-(9H-xanthene-9-carbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate CAS Name: 3-[[oxo(9H-xanthen-9-yl)methyl]amino]-9-azabicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 3-(9H-xanthene-9-carbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylate Traditional Name: 3-(9H-xanthene-9-carbonylamino)-9-azabicyclo[3.3.1]nonane-9-carboxylic acid tert-butyl ester Formula: C27H32N2O4 MolecularWeight: 448.55398

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1C2CCCC1CC(C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

Isomeric SMILES

CC(C)(C)OC(=O)N1C2CCCC1CC(C2)NC(=O)C3C4=CC=CC=C4OC5=CC=CC=C35

InChI

InChI=1S/C27H32N2O4/c1-27(2,3)33-26(31)29-18-9-8-10-19(29)16-17(15-18)28-25(30)24-20-11-4-6-13-22(20)32-23-14-7-5-12-21(23)24/h4-7,11-14,17-19,24H,8-10,15-16H2,1-3H3,(H,28,30)