ethyl (2E,4E)-5-[2-fluoranyl-4-(hexadecylamino)phenyl]penta-2,4-dienoate

Systemtic Name: ethyl (2E,4E)-5-[2-fluoranyl-4-(hexadecylamino)phenyl]penta-2,4-dienoate Openeye Name: ethyl (2E,4E)-5-[2-fluoro-4-(hexadecylamino)phenyl]penta-2,4-dienoate CAS Name: (2E,4E)-5-[2-fluoro-4-(hexadecylamino)phenyl]penta-2,4-dienoic acid ethyl ester IUPAC Name: ethyl (2E,4E)-5-[2-fluoro-4-(hexadecylamino)phenyl]penta-2,4-dienoate Traditional Name: (2E,4E)-5-[4-(cetylamino)-2-fluoro-phenyl]penta-2,4-dienoic acid ethyl ester Formula: C29H46FNO2 MolecularWeight: 459.679443

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C29H46FNO2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-19-24-31-27-23-22-26(28(30)25-27)20-17-18-21-29(32)33-4-2/h17-18,20-23,25,31H,3-16,19,24H2,1-2H3/b20-17+,21-18+