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

Systemtic Name: N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl]-3,5-dimethyl-adamantan-1-amine Openeye Name: N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxy-phenyl]methyl]-3,5-dimethyl-adamantan-1-amine CAS Name: N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3,5-dimethyl-1-adamantanamine IUPAC Name: N-[[2-[(2-chlorophenyl)methoxy]-3-ethoxyphenyl]methyl]-3,5-dimethyladamantan-1-amine Traditional Name: [2-(2-chlorobenzyl)oxy-3-ethoxy-benzyl]-(3,5-dimethyl-1-adamantyl)amine Formula: C28H36ClNO2 MolecularWeight: 454.04394

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1OCC2=CC=CC=C2Cl)CNC34CC5CC(C3)(CC(C5)(C4)C)C

Isomeric SMILES

CCOC1=CC=CC(=C1OCC2=CC=CC=C2Cl)CNC34CC5CC(C3)(CC(C5)(C4)C)C

InChI

InChI=1S/C28H36ClNO2/c1-4-31-24-11-7-9-21(25(24)32-16-22-8-5-6-10-23(22)29)15-30-28-14-20-12-26(2,18-28)17-27(3,13-20)19-28/h5-11,20,30H,4,12-19H2,1-3H3