3-oxidanylpropyl 3-fluoranyl-4-(hexadecylamino)benzoate

Systemtic Name: 3-oxidanylpropyl 3-fluoranyl-4-(hexadecylamino)benzoate Openeye Name: 3-hydroxypropyl 3-fluoro-4-(hexadecylamino)benzoate CAS Name: 3-fluoro-4-(hexadecylamino)benzoic acid 3-hydroxypropyl ester IUPAC Name: 3-hydroxypropyl 3-fluoro-4-(hexadecylamino)benzoate Traditional Name: 4-(cetylamino)-3-fluoro-benzoic acid 3-hydroxypropyl ester Formula: C26H44FNO3 MolecularWeight: 437.630863

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)OCCCO)F

Isomeric SMILES

CCCCCCCCCCCCCCCCNC1=C(C=C(C=C1)C(=O)OCCCO)F

InChI

InChI=1S/C26H44FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19-28-25-18-17-23(22-24(25)27)26(30)31-21-16-20-29/h17-18,22,28-29H,2-16,19-21H2,1H3