N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-3-chloranyl-aniline

Systemtic Name: N-[(3-bromanyl-5-ethoxy-4-phenylmethoxy-phenyl)methyl]-3-chloranyl-aniline Openeye Name: N-[(4-benzyloxy-3-bromo-5-ethoxy-phenyl)methyl]-3-chloro-aniline CAS Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-3-chloroaniline IUPAC Name: N-[(3-bromo-5-ethoxy-4-phenylmethoxyphenyl)methyl]-3-chloroaniline Traditional Name: (4-benzoxy-3-bromo-5-ethoxy-benzyl)-(3-chlorophenyl)amine Formula: C22H21BrClNO2 MolecularWeight: 446.76464

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=CC(=C1)CNC2=CC(=CC=C2)Cl)Br)OCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C(=CC(=C1)CNC2=CC(=CC=C2)Cl)Br)OCC3=CC=CC=C3

InChI

InChI=1S/C22H21BrClNO2/c1-2-26-21-12-17(14-25-19-10-6-9-18(24)13-19)11-20(23)22(21)27-15-16-7-4-3-5-8-16/h3-13,25H,2,14-15H2,1H3