propyl 3-[5,9-bis(3-oxidanylidene-3-propoxy-propyl)-1,5,9,13-tetrazacyclohexadec-1-yl]propanoate

Systemtic Name: propyl 3-[5,9-bis(3-oxidanylidene-3-propoxy-propyl)-1,5,9,13-tetrazacyclohexadec-1-yl]propanoate Openeye Name: propyl 3-[5,9-bis(3-oxo-3-propoxy-propyl)-1,5,9,13-tetrazacyclohexadec-1-yl]propanoate CAS Name: 3-[5,9-bis(3-oxo-3-propoxypropyl)-1,5,9,13-tetrazacyclohexadec-1-yl]propanoic acid propyl ester IUPAC Name: propyl 3-[5,9-bis(3-oxo-3-propoxypropyl)-1,5,9,13-tetrazacyclohexadec-1-yl]propanoate Traditional Name: 3-[5,9-bis(3-keto-3-propoxy-propyl)-1,5,9,13-tetrazacyclohexadec-1-yl]propionic acid propyl ester Formula: C30H58N4O6 MolecularWeight: 570.80472

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H58N4O6/c1-4-25-38-28(35)11-22-32-16-7-14-31-15-8-17-33(23-12-29(36)39-26-5-2)19-10-21-34(20-9-18-32)24-13-30(37)40-27-6-3/h31H,4-27H2,1-3H3