O1-ethyl O3-fluoranyl 2-[4-(hexadecylamino)phenyl]carbonylpropanedioate

Systemtic Name: O1-ethyl O3-fluoranyl 2-[4-(hexadecylamino)phenyl]carbonylpropanedioate Openeye Name: O1-ethyl O3-fluoro 2-[4-(hexadecylamino)benzoyl]propanedioate CAS Name: 2-[[4-(hexadecylamino)phenyl]-oxomethyl]propanedioic acid O1-ethyl ester O3-fluoro ester IUPAC Name: 1-O-ethyl 3-O-fluoro 2-[4-(hexadecylamino)benzoyl]propanedioate Traditional Name: 2-[4-(cetylamino)benzoyl]malonic acid O1-ethyl ester O3-fluoro ester Formula: C28H44FNO5 MolecularWeight: 493.651063

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C28H44FNO5/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-22-30-24-20-18-23(19-21-24)26(31)25(28(33)35-29)27(32)34-4-2/h18-21,25,30H,3-17,22H2,1-2H3