tert-butyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoate

Systemtic Name: tert-butyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-1,4,7,10-tetrazacyclododec-1-yl]ethanoate Openeye Name: tert-butyl 2-[4-(2-tert-butoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate CAS Name: 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[4-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetate Traditional Name: 2-[4-(2-tert-butoxy-2-keto-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid tert-butyl ester Formula: C20H40N4O4 MolecularWeight: 400.556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CN1CCNCCNCCN(CC1)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CN1CCNCCNCCN(CC1)CC(=O)OC(C)(C)C

InChI

InChI=1S/C20H40N4O4/c1-19(2,3)27-17(25)15-23-11-9-21-7-8-22-10-12-24(14-13-23)16-18(26)28-20(4,5)6/h21-22H,7-16H2,1-6H3