ethyl 2-[[2-fluoranyl-4-(hexadecylamino)phenyl]carbonylamino]ethanoate

Systemtic Name: ethyl 2-[[2-fluoranyl-4-(hexadecylamino)phenyl]carbonylamino]ethanoate Openeye Name: ethyl 2-[[2-fluoro-4-(hexadecylamino)benzoyl]amino]acetate CAS Name: 2-[[[2-fluoro-4-(hexadecylamino)phenyl]-oxomethyl]amino]acetic acid ethyl ester IUPAC Name: ethyl 2-[[2-fluoro-4-(hexadecylamino)benzoyl]amino]acetate Traditional Name: 2-[[4-(cetylamino)-2-fluoro-benzoyl]amino]acetic acid ethyl ester Formula: C27H45FN2O3 MolecularWeight: 464.656203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C27H45FN2O3/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-20-29-23-18-19-24(25(28)21-23)27(32)30-22-26(31)33-4-2/h18-19,21,29H,3-17,20,22H2,1-2H3,(H,30,32)