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

Systemtic Name: N-[[3-bromanyl-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]octan-1-amine hydrochloride Openeye Name: N-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]octan-1-amine hydrochloride CAS Name: N-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]-1-octanamine hydrochloride IUPAC Name: N-[[3-bromo-5-ethoxy-4-[(2-fluorophenyl)methoxy]phenyl]methyl]octan-1-amine hydrochloride Traditional Name: [3-bromo-5-ethoxy-4-(2-fluorobenzyl)oxy-benzyl]-octyl-amine hydrochloride Formula: C24H34BrClFNO2 MolecularWeight: 502.887663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2F)OCC.Cl

Isomeric SMILES

CCCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2F)OCC.Cl

InChI

InChI=1S/C24H33BrFNO2.ClH/c1-3-5-6-7-8-11-14-27-17-19-15-21(25)24(23(16-19)28-4-2)29-18-20-12-9-10-13-22(20)26;/h9-10,12-13,15-16,27H,3-8,11,14,17-18H2,1-2H3;1H