1,8,8-tris(fluoranyl)-3-octoxy-4-(5-octoxypyridin-2-yl)-6,7-dihydro-5H-isoquinoline

Systemtic Name: 1,8,8-tris(fluoranyl)-3-octoxy-4-(5-octoxypyridin-2-yl)-6,7-dihydro-5H-isoquinoline Openeye Name: 1,8,8-trifluoro-3-octoxy-4-(5-octoxy-2-pyridyl)-6,7-dihydro-5H-isoquinoline CAS Name: 1,8,8-trifluoro-3-octoxy-4-(5-octoxy-2-pyridinyl)-6,7-dihydro-5H-isoquinoline IUPAC Name: 1,8,8-trifluoro-3-octoxy-4-(5-octoxypyridin-2-yl)-6,7-dihydro-5H-isoquinoline Traditional Name: 1,8,8-trifluoro-3-octoxy-4-(5-octoxy-2-pyridyl)-6,7-dihydro-5H-isoquinoline Formula: C30H43F3N2O2 MolecularWeight: 520.66983

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=CN=C(C=C1)C2=C3CCCC(C3=C(N=C2OCCCCCCCC)F)(F)F

Isomeric SMILES

CCCCCCCCOC1=CN=C(C=C1)C2=C3CCCC(C3=C(N=C2OCCCCCCCC)F)(F)F

InChI

InChI=1S/C30H43F3N2O2/c1-3-5-7-9-11-13-20-36-23-17-18-25(34-22-23)26-24-16-15-19-30(32,33)27(24)28(31)35-29(26)37-21-14-12-10-8-6-4-2/h17-18,22H,3-16,19-21H2,1-2H3