methyl 4-[3-fluoranyl-4-(hexadecylamino)phenyl]-4-oxidanylidene-butanoate

Systemtic Name: methyl 4-[3-fluoranyl-4-(hexadecylamino)phenyl]-4-oxidanylidene-butanoate Openeye Name: methyl 4-[3-fluoro-4-(hexadecylamino)phenyl]-4-oxo-butanoate CAS Name: 4-[3-fluoro-4-(hexadecylamino)phenyl]-4-oxobutanoic acid methyl ester IUPAC Name: methyl 4-[3-fluoro-4-(hexadecylamino)phenyl]-4-oxobutanoate Traditional Name: 4-[4-(cetylamino)-3-fluoro-phenyl]-4-keto-butyric acid methyl ester Formula: C27H44FNO3 MolecularWeight: 449.641563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44FNO3/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-21-29-25-18-17-23(22-24(25)28)26(30)19-20-27(31)32-2/h17-18,22,29H,3-16,19-21H2,1-2H3