ethyl 2-[2-fluoranyl-4-(hexadecylamino)phenyl]carbonyl-3-oxidanylidene-butanoate

Systemtic Name: ethyl 2-[2-fluoranyl-4-(hexadecylamino)phenyl]carbonyl-3-oxidanylidene-butanoate Openeye Name: ethyl 2-[2-fluoro-4-(hexadecylamino)benzoyl]-3-oxo-butanoate CAS Name: 2-[[2-fluoro-4-(hexadecylamino)phenyl]-oxomethyl]-3-oxobutanoic acid ethyl ester IUPAC Name: ethyl 2-[2-fluoro-4-(hexadecylamino)benzoyl]-3-oxobutanoate Traditional Name: 2-[4-(cetylamino)-2-fluoro-benzoyl]-3-keto-butyric acid ethyl ester Formula: C29H46FNO4 MolecularWeight: 491.678243

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H46FNO4/c1-4-6-7-8-9-10-11-12-13-14-15-16-17-18-21-31-24-19-20-25(26(30)22-24)28(33)27(23(3)32)29(34)35-5-2/h19-20,22,27,31H,4-18,21H2,1-3H3