tert-butyl 2-[[2-phenyl-2-(1,4,7,10-tetrazacyclododec-1-yl)ethanoyl]amino]ethanoate

Systemtic Name: tert-butyl 2-[[2-phenyl-2-(1,4,7,10-tetrazacyclododec-1-yl)ethanoyl]amino]ethanoate Openeye Name: tert-butyl 2-[[2-phenyl-2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]acetate CAS Name: 2-[[1-oxo-2-phenyl-2-(1,4,7,10-tetrazacyclododec-1-yl)ethyl]amino]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[[2-phenyl-2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]acetate Traditional Name: 2-[[2-phenyl-2-(1,4,7,10-tetrazacyclododec-1-yl)acetyl]amino]acetic acid tert-butyl ester Formula: C22H37N5O3 MolecularWeight: 419.56088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CNC(=O)C(C1=CC=CC=C1)N2CCNCCNCCNCC2

Isomeric SMILES

CC(C)(C)OC(=O)CNC(=O)C(C1=CC=CC=C1)N2CCNCCNCCNCC2

InChI

InChI=1S/C22H37N5O3/c1-22(2,3)30-19(28)17-26-21(29)20(18-7-5-4-6-8-18)27-15-13-24-11-9-23-10-12-25-14-16-27/h4-8,20,23-25H,9-17H2,1-3H3,(H,26,29)