propyl 3-[1,4-bis(3-oxidanylidene-3-propoxy-propyl)-1,4,8,12-tetrazacyclopentadec-8-yl]propanoate

Systemtic Name: propyl 3-[1,4-bis(3-oxidanylidene-3-propoxy-propyl)-1,4,8,12-tetrazacyclopentadec-8-yl]propanoate Openeye Name: propyl 3-[1,4-bis(3-oxo-3-propoxy-propyl)-1,4,8,12-tetrazacyclopentadec-8-yl]propanoate CAS Name: 3-[1,4-bis(3-oxo-3-propoxypropyl)-1,4,8,12-tetrazacyclopentadec-8-yl]propanoic acid propyl ester IUPAC Name: propyl 3-[1,4-bis(3-oxo-3-propoxypropyl)-1,4,8,12-tetrazacyclopentadec-8-yl]propanoate Traditional Name: 3-[1,4-bis(3-keto-3-propoxy-propyl)-1,4,8,12-tetrazacyclopentadec-8-yl]propionic acid propyl ester Formula: C29H56N4O6 MolecularWeight: 556.77814

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC(=O)CCN1CCCNCCCN(CCN(CCC1)CCC(=O)OCCC)CCC(=O)OCCC

Isomeric SMILES

CCCOC(=O)CCN1CCCNCCCN(CCN(CCC1)CCC(=O)OCCC)CCC(=O)OCCC

InChI

InChI=1S/C29H56N4O6/c1-4-24-37-27(34)10-19-31-15-7-13-30-14-8-16-32(20-11-28(35)38-25-5-2)22-23-33(18-9-17-31)21-12-29(36)39-26-6-3/h30H,4-26H2,1-3H3