N-[[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]heptan-1-amine

Systemtic Name: N-[[3-bromanyl-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]heptan-1-amine Openeye Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxy-phenyl]methyl]heptan-1-amine CAS Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]-1-heptanamine IUPAC Name: N-[[3-bromo-4-[(2,4-dichlorophenyl)methoxy]-5-methoxyphenyl]methyl]heptan-1-amine Traditional Name: [3-bromo-4-(2,4-dichlorobenzyl)oxy-5-methoxy-benzyl]-heptyl-amine Formula: C22H28BrCl2NO2 MolecularWeight: 489.27322

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=C(C=C(C=C2)Cl)Cl)OC

Isomeric SMILES

CCCCCCCNCC1=CC(=C(C(=C1)Br)OCC2=C(C=C(C=C2)Cl)Cl)OC

InChI

InChI=1S/C22H28BrCl2NO2/c1-3-4-5-6-7-10-26-14-16-11-19(23)22(21(12-16)27-2)28-15-17-8-9-18(24)13-20(17)25/h8-9,11-13,26H,3-7,10,14-15H2,1-2H3