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

Systemtic Name: propyl 3-[4,7-bis(3-oxidanylidene-3-propoxy-propyl)-1,4,7,10-tetrazacyclotridec-1-yl]propanoate Openeye Name: propyl 3-[4,7-bis(3-oxo-3-propoxy-propyl)-1,4,7,10-tetrazacyclotridec-1-yl]propanoate CAS Name: 3-[4,7-bis(3-oxo-3-propoxypropyl)-1,4,7,10-tetrazacyclotridec-1-yl]propanoic acid propyl ester IUPAC Name: propyl 3-[4,7-bis(3-oxo-3-propoxypropyl)-1,4,7,10-tetrazacyclotridec-1-yl]propanoate Traditional Name: 3-[4,7-bis(3-keto-3-propoxy-propyl)-1,4,7,10-tetrazacyclotridec-1-yl]propionic acid propyl ester Formula: C27H52N4O6 MolecularWeight: 528.72498

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCN1CCCNCCN(CCN(CC1)CCC(=O)OCCC)CCC(=O)OCCC

Isomeric SMILES

CCCOC(=O)CCN1CCCNCCN(CCN(CC1)CCC(=O)OCCC)CCC(=O)OCCC

InChI

InChI=1S/C27H52N4O6/c1-4-22-35-25(32)8-14-29-13-7-11-28-12-17-30(15-9-26(33)36-23-5-2)19-21-31(20-18-29)16-10-27(34)37-24-6-3/h28H,4-24H2,1-3H3