pentadecyl 3-[3-imidazol-1-ylpropyl-(3-oxidanylidene-3-pentadecoxy-propyl)amino]propanoate

Systemtic Name: pentadecyl 3-[3-imidazol-1-ylpropyl-(3-oxidanylidene-3-pentadecoxy-propyl)amino]propanoate Openeye Name: pentadecyl 3-[3-imidazol-1-ylpropyl-(3-oxo-3-pentadecoxy-propyl)amino]propanoate CAS Name: 3-[3-(1-imidazolyl)propyl-(3-oxo-3-pentadecoxypropyl)amino]propanoic acid pentadecyl ester IUPAC Name: pentadecyl 3-[3-imidazol-1-ylpropyl-(3-oxo-3-pentadecoxypropyl)amino]propanoate Traditional Name: 3-[3-imidazol-1-ylpropyl-(3-keto-3-pentadecoxy-propyl)amino]propionic acid pentadecyl ester Formula: C42H79N3O4 MolecularWeight: 690.09436

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC(=O)CCN(CCCN1C=CN=C1)CCC(=O)OCCCCCCCCCCCCCCC

Isomeric SMILES

CCCCCCCCCCCCCCCOC(=O)CCN(CCCN1C=CN=C1)CCC(=O)OCCCCCCCCCCCCCCC

InChI

InChI=1S/C42H79N3O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-38-48-41(46)30-35-44(33-29-34-45-37-32-43-40-45)36-31-42(47)49-39-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h32,37,40H,3-31,33-36,38-39H2,1-2H3