ethyl 2-[7,10-bis(2-ethoxy-2-oxidanylidene-ethyl)-1,4,7,10-tetrazacyclotridec-1-yl]ethanoate

Systemtic Name: ethyl 2-[7,10-bis(2-ethoxy-2-oxidanylidene-ethyl)-1,4,7,10-tetrazacyclotridec-1-yl]ethanoate Openeye Name: ethyl 2-[7,10-bis(2-ethoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetate CAS Name: 2-[7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[7,10-bis(2-ethoxy-2-oxoethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetate Traditional Name: 2-[7,10-bis(2-ethoxy-2-keto-ethyl)-1,4,7,10-tetrazacyclotridec-1-yl]acetic acid ethyl ester Formula: C21H40N4O6 MolecularWeight: 444.5655

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1CCCN(CCN(CCNCC1)CC(=O)OCC)CC(=O)OCC

Isomeric SMILES

CCOC(=O)CN1CCCN(CCN(CCNCC1)CC(=O)OCC)CC(=O)OCC

InChI

InChI=1S/C21H40N4O6/c1-4-29-19(26)16-23-10-7-11-24(17-20(27)30-5-2)14-15-25(13-9-22-8-12-23)18-21(28)31-6-3/h22H,4-18H2,1-3H3