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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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