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

Systemtic Name: N-[[3-bromanyl-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]octan-1-amine hydrochloride Openeye Name: N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxy-phenyl]methyl]octan-1-amine hydrochloride CAS Name: N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-octanamine hydrochloride IUPAC Name: N-[[3-bromo-4-[(2-chlorophenyl)methoxy]-5-methoxyphenyl]methyl]octan-1-amine hydrochloride Traditional Name: [3-bromo-4-(2-chlorobenzyl)oxy-5-methoxy-benzyl]-octyl-amine hydrochloride Formula: C23H32BrCl2NO2 MolecularWeight: 505.31568

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2Cl)OC.Cl

Isomeric SMILES

CCCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2Cl)OC.Cl

InChI

InChI=1S/C23H31BrClNO2.ClH/c1-3-4-5-6-7-10-13-26-16-18-14-20(24)23(22(15-18)27-2)28-17-19-11-8-9-12-21(19)25;/h8-9,11-12,14-15,26H,3-7,10,13,16-17H2,1-2H3;1H