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

Systemtic Name: 2,3-bis(oxidanyl)propyl 4-[4-(hexadecylamino)phenyl]butanoate Openeye Name: 2,3-dihydroxypropyl 4-[4-(hexadecylamino)phenyl]butanoate CAS Name: 4-[4-(hexadecylamino)phenyl]butanoic acid 2,3-dihydroxypropyl ester IUPAC Name: 2,3-dihydroxypropyl 4-[4-(hexadecylamino)phenyl]butanoate Traditional Name: 4-[4-(cetylamino)phenyl]butyric acid glyceryl ester Formula: C29H51NO4 MolecularWeight: 477.71954

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H51NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-23-30-27-21-19-26(20-22-27)17-16-18-29(33)34-25-28(32)24-31/h19-22,28,30-32H,2-18,23-25H2,1H3