3-[3-fluoranyl-4-(hexadecylamino)phenyl]propanal

Systemtic Name: 3-[3-fluoranyl-4-(hexadecylamino)phenyl]propanal Openeye Name: 3-[3-fluoro-4-(hexadecylamino)phenyl]propanal CAS Name: 3-[3-fluoro-4-(hexadecylamino)phenyl]propanal IUPAC Name: 3-[3-fluoro-4-(hexadecylamino)phenyl]propanal Traditional Name: 3-[4-(cetylamino)-3-fluoro-phenyl]propionaldehyde Formula: C25H42FNO MolecularWeight: 391.605483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H42FNO/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-25-19-18-23(17-16-21-28)22-24(25)26/h18-19,21-22,27H,2-17,20H2,1H3