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

Systemtic Name: butyl 2-[4,7-bis(2-butoxy-2-oxidanylidene-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]ethanoate Openeye Name: butyl 2-[4,7-bis(2-butoxy-2-oxo-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate CAS Name: 2-[4,7-bis(2-butoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid butyl ester IUPAC Name: butyl 2-[4,7-bis(2-butoxy-2-oxoethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetate Traditional Name: 2-[4,7-bis(2-butoxy-2-keto-ethyl)-1,4,7,10-tetrazacyclododec-1-yl]acetic acid butyl ester Formula: C26H50N4O6 MolecularWeight: 514.6984

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)CN1CCNCCN(CCN(CC1)CC(=O)OCCCC)CC(=O)OCCCC

Isomeric SMILES

CCCCOC(=O)CN1CCNCCN(CCN(CC1)CC(=O)OCCCC)CC(=O)OCCCC

InChI

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