tritert-butyl 4-(2-methoxy-2-oxidanylidene-ethyl)-1,4,8,12-tetrazacyclopentadecane-1,8,12-tricarboxylate

Systemtic Name: tritert-butyl 4-(2-methoxy-2-oxidanylidene-ethyl)-1,4,8,12-tetrazacyclopentadecane-1,8,12-tricarboxylate Openeye Name: tritert-butyl 4-(2-methoxy-2-oxo-ethyl)-1,4,8,12-tetrazacyclopentadecane-1,8,12-tricarboxylate CAS Name: 4-(2-methoxy-2-oxoethyl)-1,4,8,12-tetrazacyclopentadecane-1,8,12-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 4-(2-methoxy-2-oxoethyl)-1,4,8,12-tetrazacyclopentadecane-1,8,12-tricarboxylate Traditional Name: 4-(2-keto-2-methoxy-ethyl)-1,4,8,12-tetrazacyclopentadecane-1,8,12-tricarboxylic acid tritert-butyl ester Formula: C29H54N4O8 MolecularWeight: 586.76106

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCCN(CCN(CCCN(CCC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC(=O)OC

Isomeric SMILES

CC(C)(C)OC(=O)N1CCCN(CCN(CCCN(CCC1)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)CC(=O)OC

InChI

InChI=1S/C29H54N4O8/c1-27(2,3)39-24(35)31-15-11-14-30(22-23(34)38-10)20-21-33(26(37)41-29(7,8)9)19-13-18-32(17-12-16-31)25(36)40-28(4,5)6/h11-22H2,1-10H3