2-oxidanylpropyl 4-[4-(hexadecylamino)phenyl]butanoate

Systemtic Name: 2-oxidanylpropyl 4-[4-(hexadecylamino)phenyl]butanoate Openeye Name: 2-hydroxypropyl 4-[4-(hexadecylamino)phenyl]butanoate CAS Name: 4-[4-(hexadecylamino)phenyl]butanoic acid 2-hydroxypropyl ester IUPAC Name: 2-hydroxypropyl 4-[4-(hexadecylamino)phenyl]butanoate Traditional Name: 4-[4-(cetylamino)phenyl]butyric acid 2-hydroxypropyl ester Formula: C29H51NO3 MolecularWeight: 461.72014

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H51NO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-24-30-28-22-20-27(21-23-28)18-17-19-29(32)33-25-26(2)31/h20-23,26,30-31H,3-19,24-25H2,1-2H3