tert-butyl 2-[11-[(4-hydroxyphenyl)methyl]-1,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-1,4,7,10-tetrazacyclododec-2-yl]ethanoate

Systemtic Name: tert-butyl 2-[11-[(4-hydroxyphenyl)methyl]-1,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxidanylidene-ethyl]-1,4,7,10-tetrazacyclododec-2-yl]ethanoate Openeye Name: tert-butyl 2-[1,7,10-tris(2-tert-butoxy-2-oxo-ethyl)-11-[(4-hydroxyphenyl)methyl]-1,4,7,10-tetrazacyclododec-2-yl]acetate CAS Name: 2-[11-[(4-hydroxyphenyl)methyl]-1,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-2-yl]acetic acid tert-butyl ester IUPAC Name: tert-butyl 2-[11-[(4-hydroxyphenyl)methyl]-1,7,10-tris[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-2-yl]acetate Traditional Name: 2-[1,7,10-tris(2-tert-butoxy-2-keto-ethyl)-11-(4-hydroxybenzyl)-1,4,7,10-tetrazacyclododec-2-yl]acetic acid tert-butyl ester Formula: C39H66N4O9 MolecularWeight: 734.96274

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)CC1CNCCN(CCN(C(CN1CC(=O)OC(C)(C)C)CC2=CC=C(C=C2)O)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

Isomeric SMILES

CC(C)(C)OC(=O)CC1CNCCN(CCN(C(CN1CC(=O)OC(C)(C)C)CC2=CC=C(C=C2)O)CC(=O)OC(C)(C)C)CC(=O)OC(C)(C)C

InChI

InChI=1S/C39H66N4O9/c1-36(2,3)49-32(45)22-29-23-40-17-18-41(25-33(46)50-37(4,5)6)19-20-42(26-34(47)51-38(7,8)9)30(21-28-13-15-31(44)16-14-28)24-43(29)27-35(48)52-39(10,11)12/h13-16,29-30,40,44H,17-27H2,1-12H3