diethyl 2-fluoranyl-2-[4-(hexadecylamino)phenyl]carbonyl-propanedioate

Systemtic Name: diethyl 2-fluoranyl-2-[4-(hexadecylamino)phenyl]carbonyl-propanedioate Openeye Name: diethyl 2-fluoro-2-[4-(hexadecylamino)benzoyl]propanedioate CAS Name: 2-fluoro-2-[[4-(hexadecylamino)phenyl]-oxomethyl]propanedioic acid diethyl ester IUPAC Name: diethyl 2-fluoro-2-[4-(hexadecylamino)benzoyl]propanedioate Traditional Name: 2-[4-(cetylamino)benzoyl]-2-fluoro-malonic acid diethyl ester Formula: C30H48FNO5 MolecularWeight: 521.704223

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C30H48FNO5/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-24-32-26-22-20-25(21-23-26)27(33)30(31,28(34)36-5-2)29(35)37-6-3/h20-23,32H,4-19,24H2,1-3H3