ditert-butyl 7-(2-azanylethyl)-1,4,7-triazonane-1,4-dicarboxylate

Systemtic Name: ditert-butyl 7-(2-azanylethyl)-1,4,7-triazonane-1,4-dicarboxylate Openeye Name: ditert-butyl 7-(2-aminoethyl)-1,4,7-triazonane-1,4-dicarboxylate CAS Name: 7-(2-aminoethyl)-1,4,7-triazonane-1,4-dicarboxylic acid ditert-butyl ester IUPAC Name: ditert-butyl 7-(2-aminoethyl)-1,4,7-triazonane-1,4-dicarboxylate Traditional Name: 7-(2-aminoethyl)-1,4,7-triazonane-1,4-dicarboxylic acid ditert-butyl ester Formula: C18H36N4O4 MolecularWeight: 372.50284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCN(CCN(CC1)C(=O)OC(C)(C)C)CCN

Isomeric SMILES

CC(C)(C)OC(=O)N1CCN(CCN(CC1)C(=O)OC(C)(C)C)CCN

InChI

InChI=1S/C18H36N4O4/c1-17(2,3)25-15(23)21-11-9-20(8-7-19)10-12-22(14-13-21)16(24)26-18(4,5)6/h7-14,19H2,1-6H3