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

Systemtic Name: ethyl 3-[3-fluoranyl-4-(hexadecylamino)phenyl]-3-oxidanylidene-propanoate Openeye Name: ethyl 3-[3-fluoro-4-(hexadecylamino)phenyl]-3-oxo-propanoate CAS Name: 3-[3-fluoro-4-(hexadecylamino)phenyl]-3-oxopropanoic acid ethyl ester IUPAC Name: ethyl 3-[3-fluoro-4-(hexadecylamino)phenyl]-3-oxopropanoate Traditional Name: 3-[4-(cetylamino)-3-fluoro-phenyl]-3-keto-propionic acid ethyl ester Formula: C27H44FNO3 MolecularWeight: 449.641563

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H44FNO3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-25-19-18-23(21-24(25)28)26(30)22-27(31)32-4-2/h18-19,21,29H,3-17,20,22H2,1-2H3