N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]pentan-1-amine

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]pentan-1-amine Openeye Name: N-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]pentan-1-amine CAS Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-1-pentanamine IUPAC Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]pentan-1-amine Traditional Name: amyl-(4-benzoxy-3-bromo-5-ethoxy-benzyl)amine Formula: C21H28BrNO2 MolecularWeight: 406.35652

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OCC

Isomeric SMILES

CCCCCNCC1=CC(=C(C(=C1)Br)OCC2=CC=CC=C2)OCC

InChI

InChI=1S/C21H28BrNO2/c1-3-5-9-12-23-15-18-13-19(22)21(20(14-18)24-4-2)25-16-17-10-7-6-8-11-17/h6-8,10-11,13-14,23H,3-5,9,12,15-16H2,1-2H3