propyl 3-[4,7-bis(3-oxidanylidene-3-propoxy-propyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate

Systemtic Name: propyl 3-[4,7-bis(3-oxidanylidene-3-propoxy-propyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate Openeye Name: propyl 3-[4,7-bis(3-oxo-3-propoxy-propyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate CAS Name: 3-[4,7-bis(3-oxo-3-propoxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoic acid propyl ester IUPAC Name: propyl 3-[4,7-bis(3-oxo-3-propoxypropyl)-1,4,7,10-tetrazacyclododec-1-yl]propanoate Traditional Name: 3-[4,7-bis(3-keto-3-propoxy-propyl)-1,4,7,10-tetrazacyclododec-1-yl]propionic acid propyl ester Formula: C26H50N4O6 MolecularWeight: 514.6984

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCN1CCNCCN(CCN(CC1)CCC(=O)OCCC)CCC(=O)OCCC

Isomeric SMILES

CCCOC(=O)CCN1CCNCCN(CCN(CC1)CCC(=O)OCCC)CCC(=O)OCCC

InChI

InChI=1S/C26H50N4O6/c1-4-21-34-24(31)7-12-28-15-10-27-11-16-29(13-8-25(32)35-22-5-2)18-20-30(19-17-28)14-9-26(33)36-23-6-3/h27H,4-23H2,1-3H3