N-[[3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]hexan-1-amine

Systemtic Name: N-[[3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]hexan-1-amine Openeye Name: N-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]hexan-1-amine CAS Name: N-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-hexanamine IUPAC Name: N-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]hexan-1-amine Traditional Name: [3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]-hexyl-amine Formula: C22H29BrFNO2 MolecularWeight: 438.373563

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2F)OCC

Isomeric SMILES

CCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2F)OCC

InChI

InChI=1S/C22H29BrFNO2/c1-3-5-6-9-12-25-15-17-13-19(23)22(21(14-17)26-4-2)27-16-18-10-7-8-11-20(18)24/h7-8,10-11,13-14,25H,3-6,9,12,15-16H2,1-2H3