methyl 2-[4,7-bis(2-methoxy-2-oxidanylidene-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate

Systemtic Name: methyl 2-[4,7-bis(2-methoxy-2-oxidanylidene-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate Openeye Name: methyl 2-[4,7-bis(2-methoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate CAS Name: 2-[4,7-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[4,7-bis(2-methoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate Traditional Name: 2-[4,7-bis(2-keto-2-methoxy-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid methyl ester Formula: C17H32N4O6 MolecularWeight: 388.45918

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN1CCNCCN(CCN(CC1)CC(=O)OC)CC(=O)OC

Isomeric SMILES

COC(=O)CN1CCNCCN(CCN(CC1)CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C17H32N4O6/c1-25-15(22)12-19-6-4-18-5-7-20(13-16(23)26-2)9-11-21(10-8-19)14-17(24)27-3/h18H,4-14H2,1-3H3