2,3-bis(oxidanyl)propyl 3-[4-(hexadecylamino)phenyl]propanoate

Systemtic Name: 2,3-bis(oxidanyl)propyl 3-[4-(hexadecylamino)phenyl]propanoate Openeye Name: 2,3-dihydroxypropyl 3-[4-(hexadecylamino)phenyl]propanoate CAS Name: 3-[4-(hexadecylamino)phenyl]propanoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl 3-[4-(hexadecylamino)phenyl]propanoate Traditional Name: 3-[4-(cetylamino)phenyl]propionic acid glyceryl ester Formula: C28H49NO4 MolecularWeight: 463.69296

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CCC(=O)OCC(CO)O

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=CC=C(C=C1)CCC(=O)OCC(CO)O

InChI

InChI=1S/C28H49NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22-29-26-19-16-25(17-20-26)18-21-28(32)33-24-27(31)23-30/h16-17,19-20,27,29-31H,2-15,18,21-24H2,1H3