6,7-diethoxy-1-(4-fluoranyl-3-phenoxy-phenyl)-1,2,3,4-tetrahydroisoquinoline

Systemtic Name: 6,7-diethoxy-1-(4-fluoranyl-3-phenoxy-phenyl)-1,2,3,4-tetrahydroisoquinoline Openeye Name: 6,7-diethoxy-1-(4-fluoro-3-phenoxy-phenyl)-1,2,3,4-tetrahydroisoquinoline CAS Name: 6,7-diethoxy-1-(4-fluoro-3-phenoxyphenyl)-1,2,3,4-tetrahydroisoquinoline IUPAC Name: 6,7-diethoxy-1-(4-fluoro-3-phenoxyphenyl)-1,2,3,4-tetrahydroisoquinoline Traditional Name: 6,7-diethoxy-1-(4-fluoro-3-phenoxy-phenyl)-1,2,3,4-tetrahydroisoquinoline Formula: C25H26FNO3 MolecularWeight: 407.477243

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C2C(NCCC2=C1)C3=CC(=C(C=C3)F)OC4=CC=CC=C4)OCC

Isomeric SMILES

CCOC1=C(C=C2C(NCCC2=C1)C3=CC(=C(C=C3)F)OC4=CC=CC=C4)OCC

InChI

InChI=1S/C25H26FNO3/c1-3-28-23-14-17-12-13-27-25(20(17)16-24(23)29-4-2)18-10-11-21(26)22(15-18)30-19-8-6-5-7-9-19/h5-11,14-16,25,27H,3-4,12-13H2,1-2H3