3-[3-[4-[3-(2-bromophenyl)propoxy]phenyl]propylamino]propanoic acid

Systemtic Name: 3-[3-[4-[3-(2-bromophenyl)propoxy]phenyl]propylamino]propanoic acid Openeye Name: 3-[3-[4-[3-(2-bromophenyl)propoxy]phenyl]propylamino]propanoic acid CAS Name: 3-[3-[4-[3-(2-bromophenyl)propoxy]phenyl]propylamino]propanoic acid IUPAC Name: 3-[3-[4-[3-(2-bromophenyl)propoxy]phenyl]propylamino]propanoic acid Traditional Name: 3-[3-[4-[3-(2-bromophenyl)propoxy]phenyl]propylamino]propionic acid Formula: C21H26BrNO3 MolecularWeight: 420.34004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCCOC2=CC=C(C=C2)CCCNCCC(=O)O)Br

Isomeric SMILES

C1=CC=C(C(=C1)CCCOC2=CC=C(C=C2)CCCNCCC(=O)O)Br

InChI

InChI=1S/C21H26BrNO3/c22-20-8-2-1-6-18(20)7-4-16-26-19-11-9-17(10-12-19)5-3-14-23-15-13-21(24)25/h1-2,6,8-12,23H,3-5,7,13-16H2,(H,24,25)