propyl 3-[4,8-bis(3-oxidanylidene-3-propoxy-propyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanoate

Systemtic Name: propyl 3-[4,8-bis(3-oxidanylidene-3-propoxy-propyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanoate Openeye Name: propyl 3-[4,8-bis(3-oxo-3-propoxy-propyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanoate CAS Name: 3-[4,8-bis(3-oxo-3-propoxypropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanoic acid propyl ester IUPAC Name: propyl 3-[4,8-bis(3-oxo-3-propoxypropyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propanoate Traditional Name: 3-[4,8-bis(3-keto-3-propoxy-propyl)-1,4,8,11-tetrazacyclotetradec-1-yl]propionic acid propyl ester Formula: C28H54N4O6 MolecularWeight: 542.75156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H54N4O6/c1-4-23-36-26(33)9-17-30-15-8-16-32(19-11-28(35)38-25-6-3)22-21-31(14-7-12-29-13-20-30)18-10-27(34)37-24-5-2/h29H,4-25H2,1-3H3