2-(3-fluoranyl-4-octoxy-phenyl)-6-heptyl-quinoline

Systemtic Name: 2-(3-fluoranyl-4-octoxy-phenyl)-6-heptyl-quinoline Openeye Name: 2-(3-fluoro-4-octoxy-phenyl)-6-heptyl-quinoline CAS Name: 2-(3-fluoro-4-octoxyphenyl)-6-heptylquinoline IUPAC Name: 2-(3-fluoro-4-octoxyphenyl)-6-heptylquinoline Traditional Name: 2-(3-fluoro-4-octoxy-phenyl)-6-heptyl-quinoline Formula: C30H40FNO MolecularWeight: 449.643103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C=C1)C2=NC3=C(C=C2)C=C(C=C3)CCCCCCC)F

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C=C1)C2=NC3=C(C=C2)C=C(C=C3)CCCCCCC)F

InChI

InChI=1S/C30H40FNO/c1-3-5-7-9-11-13-21-33-30-20-17-26(23-27(30)31)29-19-16-25-22-24(15-18-28(25)32-29)14-12-10-8-6-4-2/h15-20,22-23H,3-14,21H2,1-2H3