pentadecyl 3-[(3-oxidanylidene-3-pentadecoxy-propyl)-(2-pyrrolidin-1-ylethyl)amino]propanoate

Systemtic Name: pentadecyl 3-[(3-oxidanylidene-3-pentadecoxy-propyl)-(2-pyrrolidin-1-ylethyl)amino]propanoate Openeye Name: pentadecyl 3-[(3-oxo-3-pentadecoxy-propyl)-(2-pyrrolidin-1-ylethyl)amino]propanoate CAS Name: 3-[(3-oxo-3-pentadecoxypropyl)-[2-(1-pyrrolidinyl)ethyl]amino]propanoic acid pentadecyl ester IUPAC Name: pentadecyl 3-[(3-oxo-3-pentadecoxypropyl)-(2-pyrrolidin-1-ylethyl)amino]propanoate Traditional Name: 3-[(3-keto-3-pentadecoxy-propyl)-(2-pyrrolidinoethyl)amino]propionic acid pentadecyl ester Formula: C42H82N2O4 MolecularWeight: 679.11148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCCCCCCCCCC)CCN1CCCC1

Isomeric SMILES

CCCCCCCCCCCCCCCOC(=O)CCN(CCC(=O)OCCCCCCCCCCCCCCC)CCN1CCCC1

InChI

InChI=1S/C42H82N2O4/c1-3-5-7-9-11-13-15-17-19-21-23-25-29-39-47-41(45)31-35-44(38-37-43-33-27-28-34-43)36-32-42(46)48-40-30-26-24-22-20-18-16-14-12-10-8-6-4-2/h3-40H2,1-2H3