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

Systemtic Name: N-[[3-bromanyl-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]hexan-1-amine hydrochloride Openeye Name: N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]hexan-1-amine hydrochloride CAS Name: N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]-1-hexanamine hydrochloride IUPAC Name: N-[[3-bromo-5-ethoxy-4-[(4-fluorophenyl)methoxy]phenyl]methyl]hexan-1-amine hydrochloride Traditional Name: [3-bromo-5-ethoxy-4-(4-fluorobenzyl)oxy-benzyl]-hexyl-amine hydrochloride Formula: C22H30BrClFNO2 MolecularWeight: 474.834503

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)F)OCC.Cl

Isomeric SMILES

CCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)F)OCC.Cl

InChI

InChI=1S/C22H29BrFNO2.ClH/c1-3-5-6-7-12-25-15-18-13-20(23)22(21(14-18)26-4-2)27-16-17-8-10-19(24)11-9-17;/h8-11,13-14,25H,3-7,12,15-16H2,1-2H3;1H