diethyl 2-(1,4,7,10-tetrazacyclododec-1-yl)propanedioate

Systemtic Name: diethyl 2-(1,4,7,10-tetrazacyclododec-1-yl)propanedioate Openeye Name: diethyl 2-(1,4,7,10-tetrazacyclododec-1-yl)propanedioate CAS Name: 2-(1,4,7,10-tetrazacyclododec-1-yl)propanedioic acid diethyl ester IUPAC Name: diethyl 2-(1,4,7,10-tetrazacyclododec-1-yl)propanedioate Traditional Name: 2-(1,4,7,10-tetrazacyclododec-1-yl)malonic acid diethyl ester Formula: C15H30N4O4 MolecularWeight: 330.4231

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(=O)OCC)N1CCNCCNCCNCC1

Isomeric SMILES

CCOC(=O)C(C(=O)OCC)N1CCNCCNCCNCC1

InChI

InChI=1S/C15H30N4O4/c1-3-22-14(20)13(15(21)23-4-2)19-11-9-17-7-5-16-6-8-18-10-12-19/h13,16-18H,3-12H2,1-2H3