1-oxidanylpropan-2-yl 3-[4-(hexadecylamino)-2-oxidanyl-phenyl]propanoate

Systemtic Name: 1-oxidanylpropan-2-yl 3-[4-(hexadecylamino)-2-oxidanyl-phenyl]propanoate Openeye Name: (2-hydroxy-1-methyl-ethyl) 3-[4-(hexadecylamino)-2-hydroxy-phenyl]propanoate CAS Name: 3-[4-(hexadecylamino)-2-hydroxyphenyl]propanoic acid 1-hydroxypropan-2-yl ester IUPAC Name: 1-hydroxypropan-2-yl 3-[4-(hexadecylamino)-2-hydroxyphenyl]propanoate Traditional Name: 3-[4-(cetylamino)-2-hydroxy-phenyl]propionic acid (2-hydroxy-1-methyl-ethyl) ester Formula: C28H49NO4 MolecularWeight: 463.69296

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H49NO4/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-29-26-19-17-25(27(31)22-26)18-20-28(32)33-24(2)23-30/h17,19,22,24,29-31H,3-16,18,20-21,23H2,1-2H3