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

Systemtic Name: N-[[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]adamantan-2-amine Openeye Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]adamantan-2-amine CAS Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-2-adamantanamine IUPAC Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]adamantan-2-amine Traditional Name: 2-adamantyl-[3-bromo-4-(2,4-dichlorobenzyl)oxy-5-methoxy-benzyl]amine Formula: C25H28BrCl2NO2 MolecularWeight: 525.30532

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)Br)OCC5=C(C=C(C=C5)Cl)Cl

Isomeric SMILES

COC1=C(C(=CC(=C1)CNC2C3CC4CC(C3)CC2C4)Br)OCC5=C(C=C(C=C5)Cl)Cl

InChI

InChI=1S/C25H28BrCl2NO2/c1-30-23-10-16(12-29-24-18-5-14-4-15(7-18)8-19(24)6-14)9-21(26)25(23)31-13-17-2-3-20(27)11-22(17)28/h2-3,9-11,14-15,18-19,24,29H,4-8,12-13H2,1H3