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

Systemtic Name: N-[[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]adamantan-2-amine Openeye Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]adamantan-2-amine CAS Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-2-adamantanamine IUPAC Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-ethoxyphenyl]methyl]adamantan-2-amine Traditional Name: 2-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)CNC2C3CC4CC(C3)CC2C4)Br)OCC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)Br)OCC5=C(C=C(C=C5)Cl)Cl

InChI

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