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

Systemtic Name: N-[[3-bromanyl-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]octan-1-amine hydrochloride Openeye Name: N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxy-phenyl]methyl]octan-1-amine hydrochloride CAS Name: N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-octanamine hydrochloride IUPAC Name: N-[[3-bromo-4-[(4-fluorophenyl)methoxy]-5-methoxyphenyl]methyl]octan-1-amine hydrochloride Traditional Name: [3-bromo-4-(4-fluorobenzyl)oxy-5-methoxy-benzyl]-octyl-amine hydrochloride Formula: C23H32BrClFNO2 MolecularWeight: 488.861083

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)F)OC.Cl

Isomeric SMILES

CCCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=C(C=C2)F)OC.Cl

InChI

InChI=1S/C23H31BrFNO2.ClH/c1-3-4-5-6-7-8-13-26-16-19-14-21(24)23(22(15-19)27-2)28-17-18-9-11-20(25)12-10-18;/h9-12,14-15,26H,3-8,13,16-17H2,1-2H3;1H