tert-butyl N-[11-oxidanylidene-11-(1,4,7,10-tetrazacyclododec-1-yl)undecyl]carbamate

Systemtic Name: tert-butyl N-[11-oxidanylidene-11-(1,4,7,10-tetrazacyclododec-1-yl)undecyl]carbamate Openeye Name: tert-butyl N-[11-oxo-11-(1,4,7,10-tetrazacyclododec-1-yl)undecyl]carbamate CAS Name: N-[11-oxo-11-(1,4,7,10-tetrazacyclododec-1-yl)undecyl]carbamic acid tert-butyl ester IUPAC Name: tert-butyl N-[11-oxo-11-(1,4,7,10-tetrazacyclododec-1-yl)undecyl]carbamate Traditional Name: N-[11-keto-11-(1,4,7,10-tetrazacyclododec-1-yl)undecyl]carbamic acid tert-butyl ester Formula: C24H49N5O3 MolecularWeight: 455.67756

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)NCCCCCCCCCCC(=O)N1CCNCCNCCNCC1

Isomeric SMILES

CC(C)(C)OC(=O)NCCCCCCCCCCC(=O)N1CCNCCNCCNCC1

InChI

InChI=1S/C24H49N5O3/c1-24(2,3)32-23(31)28-13-11-9-7-5-4-6-8-10-12-22(30)29-20-18-26-16-14-25-15-17-27-19-21-29/h25-27H,4-21H2,1-3H3,(H,28,31)