ethyl 2-[4,7-bis(1-ethoxy-1-oxidanylidene-propan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate

Systemtic Name: ethyl 2-[4,7-bis(1-ethoxy-1-oxidanylidene-propan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate Openeye Name: ethyl 2-[4,7-bis(2-ethoxy-1-methyl-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate CAS Name: 2-[4,7-bis(1-ethoxy-1-oxopropan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid ethyl ester IUPAC Name: ethyl 2-[4,7-bis(1-ethoxy-1-oxopropan-2-yl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate Traditional Name: 2-[4,7-bis(2-ethoxy-2-keto-1-methyl-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]propionic acid ethyl ester Formula: C23H44N4O6 MolecularWeight: 472.61866

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C)N1CCNCCN(CCN(CC1)C(C)C(=O)OCC)C(C)C(=O)OCC

Isomeric SMILES

CCOC(=O)C(C)N1CCNCCN(CCN(CC1)C(C)C(=O)OCC)C(C)C(=O)OCC

InChI

InChI=1S/C23H44N4O6/c1-7-31-21(28)18(4)25-12-10-24-11-13-26(19(5)22(29)32-8-2)15-17-27(16-14-25)20(6)23(30)33-9-3/h18-20,24H,7-17H2,1-6H3