(E)-3-[2-fluoranyl-4-(hexadecylamino)phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[2-fluoranyl-4-(hexadecylamino)phenyl]prop-2-enoic acid Openeye Name: (E)-3-[2-fluoro-4-(hexadecylamino)phenyl]prop-2-enoic acid CAS Name: (E)-3-[2-fluoro-4-(hexadecylamino)phenyl]-2-propenoic acid IUPAC Name: (E)-3-[2-fluoro-4-(hexadecylamino)phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-(cetylamino)-2-fluoro-phenyl]acrylic acid Formula: C25H40FNO2 MolecularWeight: 405.589003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H40FNO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-20-27-23-18-16-22(24(26)21-23)17-19-25(28)29/h16-19,21,27H,2-15,20H2,1H3,(H,28,29)/b19-17+