N-[[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]adamantan-1-amine

Systemtic Name: N-[[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]adamantan-1-amine Openeye Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]adamantan-1-amine CAS Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-adamantanamine IUPAC Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]adamantan-1-amine Traditional Name: 1-adamantyl-[3-bromo-4-(2,4-dichlorobenzyl)oxy-5-ethoxy-benzyl]amine Formula: C26H30BrCl2NO2 MolecularWeight: 539.3319

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OCC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Br)OCC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C26H30BrCl2NO2/c1-2-31-24-9-19(14-30-26-11-16-5-17(12-26)7-18(6-16)13-26)8-22(27)25(24)32-15-20-3-4-21(28)10-23(20)29/h3-4,8-10,16-18,30H,2,5-7,11-15H2,1H3