N-[[3-chloranyl-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]adamantan-1-amine

Systemtic Name: N-[[3-chloranyl-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]adamantan-1-amine Openeye Name: N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxy-phenyl]methyl]adamantan-1-amine CAS Name: N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]-1-adamantanamine IUPAC Name: N-[[3-chloro-4-[(2-chlorophenyl)methoxy]-5-ethoxyphenyl]methyl]adamantan-1-amine Traditional Name: 1-adamantyl-[3-chloro-4-(2-chlorobenzyl)oxy-5-ethoxy-benzyl]amine Formula: C26H31Cl2NO2 MolecularWeight: 460.43584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Cl)OCC5=CC=CC=C5Cl

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC23CC4CC(C2)CC(C4)C3)Cl)OCC5=CC=CC=C5Cl

InChI

InChI=1S/C26H31Cl2NO2/c1-2-30-24-11-20(10-23(28)25(24)31-16-21-5-3-4-6-22(21)27)15-29-26-12-17-7-18(13-26)9-19(8-17)14-26/h3-6,10-11,17-19,29H,2,7-9,12-16H2,1H3