ethyl 3-[3-fluoranyl-4-(hexadecylamino)phenyl]propanoate

Systemtic Name: ethyl 3-[3-fluoranyl-4-(hexadecylamino)phenyl]propanoate Openeye Name: ethyl 3-[3-fluoro-4-(hexadecylamino)phenyl]propanoate CAS Name: 3-[3-fluoro-4-(hexadecylamino)phenyl]propanoic acid ethyl ester IUPAC Name: ethyl 3-[3-fluoro-4-(hexadecylamino)phenyl]propanoate Traditional Name: 3-[4-(cetylamino)-3-fluoro-phenyl]propionic acid ethyl ester Formula: C27H46FNO2 MolecularWeight: 435.658043

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H46FNO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-29-26-20-18-24(23-25(26)28)19-21-27(30)31-4-2/h18,20,23,29H,3-17,19,21-22H2,1-2H3