tritert-butyl 10-methanoyl-9-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate

Systemtic Name: tritert-butyl 10-methanoyl-9-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Openeye Name: tritert-butyl 10-formyl-9-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate CAS Name: 10-formyl-9-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tritert-butyl ester IUPAC Name: tritert-butyl 10-formyl-9-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate Traditional Name: 10-formyl-9-methyl-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylic acid tritert-butyl ester Formula: C25H46N4O7 MolecularWeight: 514.65534

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCN(CCN(CCN1C=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

Isomeric SMILES

CC1CN(CCN(CCN(CCN1C=O)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C)C(=O)OC(C)(C)C

InChI

InChI=1S/C25H46N4O7/c1-19-17-28(22(33)36-25(8,9)10)15-13-26(20(31)34-23(2,3)4)11-12-27(14-16-29(19)18-30)21(32)35-24(5,6)7/h18-19H,11-17H2,1-10H3