2-[(E)-2-[2,3-bis(fluoranyl)-4-octoxy-phenyl]ethenyl]-6-bromanyl-quinoline

Systemtic Name: 2-[(E)-2-[2,3-bis(fluoranyl)-4-octoxy-phenyl]ethenyl]-6-bromanyl-quinoline Openeye Name: 6-bromo-2-[(E)-2-(2,3-difluoro-4-octoxy-phenyl)vinyl]quinoline CAS Name: 6-bromo-2-[(E)-2-(2,3-difluoro-4-octoxyphenyl)ethenyl]quinoline IUPAC Name: 6-bromo-2-[(E)-2-(2,3-difluoro-4-octoxyphenyl)ethenyl]quinoline Traditional Name: 6-bromo-2-[(E)-2-(2,3-difluoro-4-octoxy-phenyl)vinyl]quinoline Formula: C25H26BrF2NO MolecularWeight: 474.380846

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C(=C(C=C1)C=CC2=NC3=C(C=C2)C=C(C=C3)Br)F)F

Isomeric SMILES

CCCCCCCCOC1=C(C(=C(C=C1)/C=C/C2=NC3=C(C=C2)C=C(C=C3)Br)F)F

InChI

InChI=1S/C25H26BrF2NO/c1-2-3-4-5-6-7-16-30-23-15-10-18(24(27)25(23)28)8-12-21-13-9-19-17-20(26)11-14-22(19)29-21/h8-15,17H,2-7,16H2,1H3/b12-8+